2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid

C18H14FNO3 — CID 3492969

IUPAC2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1F
InChIInChI=1S/C18H14FNO3/c1-10-3-5-15-12(7-10)13(18(21)22)9-16(20-15)11-4-6-17(23-2)14(19)8-11/h3-9H,1-2H3,(H,21,22)
InChIKeyJUMWJVINNGQMHP-UHFFFAOYSA-N
MW311.31 g/mol
LogP4.06
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid

2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid (PubChem CID 3492969) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
PubChem CID3492969
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1F
InChIInChI=1S/C18H14FNO3/c1-10-3-5-15-12(7-10)13(18(21)22)9-16(20-15)11-4-6-17(23-2)14(19)8-11/h3-9H,1-2H3,(H,21,22)
InChIKeyJUMWJVINNGQMHP-UHFFFAOYSA-N
XLogP4.06
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carboxylate
CID 4745196
6,7-dimethoxy-2-(4-methylphenyl)quinoline-4-carboxylic acid
CID 18073657
6-chloro-2-(3-chloro-4-methoxyphenyl)quinoline-4-carboxylic acid
CID 3321960
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139738
2-(3-fluoro-4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983821
2-(4-chlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 18073642
4-(3-fluoro-4-methoxyphenyl)-2-methoxybenzoic acid
CID 53226547
2-(4-ethylphenyl)-6-methylquinoline-4-carboxylic acid
CID 1225955
2-(3,4-dichlorophenyl)-6,7-dimethoxyquinoline-4-carboxylic acid
CID 134913947
2-[5-(4-methoxyphenyl)furan-2-yl]-6-methylquinoline-4-carboxylic acid
CID 51368379
6-butan-2-yl-2-(4-methoxy-3-methylphenyl)quinoline-4-carboxylic acid
CID 4023942

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid (CID 3492969) is 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid is COc1ccc(-c2cc(C(=O)O)c3cc(C)ccc3n2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The InChIKey is JUMWJVINNGQMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c1-10-3-5-15-12(7-10)13(18(21)22)9-16(20-15)11-4-6-17(23-2)14(19)8-11/h3-9H,1-2H3,(H,21,22).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid?
2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid has a molecular weight of 311.31 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-6-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 3492969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).