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CAS 118803-81-9 QUINOLINE-3-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 118803-81-9

QUINOLINE-3-CARBOXYLIC ACID

Product Availability

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260604 100g Out of stock Inquiry
Batchno.20250407 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20251108 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250210 25g Out of stock Inquiry
Batchno.20260514 5g In stock Shanghai, Tianjin Inquiry
  • Product code: SSC-018915
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 118803-81-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

118803-81-9 / 1-ethyl-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid;pyridine-3-carboxylic acid

Norfloxacin nicotinate | DTXSID10152246 | 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylate

Standard CAS: 118803-81-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
118803-81-9
Multi CAS
No
Molecular Formula
C22H23FN4O5
Molecular Weight
442.400000
Exact Mass
442.165248
SMILES
CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCNCC3)F)C(=O)O.C1=CC(=CN=C1)C(=O)O
InChI
InChI=1S/C16H18FN3O3.C6H5NO2/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;8-6(9)5-2-1-3-7-4-5/h7-9,18H,2-6H2,1H3,(H,22,23);1-4H,(H,8,9)
InChIKey
WRIFLTAYLRDENF-UHFFFAOYSA-N
Synonyms
Norfloxacin nicotinate DTXSID10152246 3-Quinolinecarboxylic acid, 1-ethyl-6-fluoro-1,4-dihydro-4-oxo-7-(1-piperazinyl)-, mono-3-pyridinecarboxylate RefChem:911626 DTXCID3074737

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
16
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
3
Molar refractivity
117.08
TPSA
124.76

LogP / Solubility

WLOGP
2.05
MLOGP
1.83
XLogP3
2.05
Consensus LogP
1.98
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P264, P280, P302+P352, P321, P332+P317, and P362+P364

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