[email protected]
CAS 103877-51-6 ethyl 7-chloro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate molecular structure lightbox
CAS RN: 103877-51-6

ethyl 7-chloro-8-methyl-4-oxo-1,4-dihydroquinoline-3-carboxylate

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250708 100g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS103877-51-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

103877-51-6 / ethyl 7-chloro-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate

DTXSID601138470 | Ethyl 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate | RefChem:596008

Standard CAS: 103877-51-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103877-51-6
Multi CAS
No
Molecular Formula
C16H16ClNO3
Molecular Weight
305.750000
Exact Mass
305.081871
SMILES
CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C)Cl)C3CC3
InChI
InChI=1S/C16H16ClNO3/c1-3-21-16(20)12-8-18(10-4-5-10)14-9(2)13(17)7-6-11(14)15(12)19/h6-8,10H,3-5H2,1-2H3
InChIKey
MUQYAFBHOLSOCY-UHFFFAOYSA-N
Synonyms
DTXSID601138470 Ethyl 7-chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylate RefChem:596008 DTXCID801570096 ethyl 7-chloro-1-cyclopropyl-8-methyl-4-oxoquinoline-3-carboxylate

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
82.18
TPSA
48.3

LogP / Solubility

WLOGP
3.47
MLOGP
3.07
XLogP3
3.7
Consensus LogP
3.41
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Acute Toxic Environmental Hazard
Signal
Danger
GHS Hazard Statements
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral] H411 (66.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us