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CAS 103624-90-4 7-METHOXY-2-METHYL-4-QUINOLINOL molecular structure lightbox
CAS RN: 103624-90-4

7-METHOXY-2-METHYL-4-QUINOLINOL

  • Product code: SSC-005186
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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: 0.1g, 0.25g
  • 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 103624-90-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

103624-90-4 / 7-methoxy-2-methyl-1H-quinolin-4-one

7-methoxy-2-methyl-4(1H)-quinolinone | RefChem:1074463 | 7-methoxy-2-methylquinolin-4-ol

Standard CAS: 103624-90-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
103624-90-4
Multi CAS
Yes
Molecular Formula
C11H11NO2
Molecular Weight
189.210000
Exact Mass
189.078979
SMILES
CC1=CC(=O)C2=C(N1)C=C(C=C2)OC
InChI
InChI=1S/C11H11NO2/c1-7-5-11(13)9-4-3-8(14-2)6-10(9)12-7/h3-6H,1-2H3,(H,12,13)
InChIKey
VXLZVELXYBOECH-UHFFFAOYSA-N
Synonyms
7-methoxy-2-methyl-4(1H)-quinolinone RefChem:1074463 7-methoxy-2-methylquinolin-4-ol 4-Hydroxy-7-methoxy-2-methylquinoline 7-methoxy-2-methyl-1H-quinolin-4-one

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
55.86
TPSA
42.09

LogP / Solubility

WLOGP
1.85
MLOGP
1.62
XLogP3
1.9
Consensus LogP
1.79
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.54
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (97.5%): May cause an allergic skin reaction [Warning Sensitization, Skin] H318 (97.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501

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