4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid

C17H11F2NO3 — CID 67961895

IUPAC4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
SMILESCOc1cc(F)c(-c2ccnc3ccc(C(=O)O)cc23)c(F)c1
InChIInChI=1S/C17H11F2NO3/c1-23-10-7-13(18)16(14(19)8-10)11-4-5-20-15-3-2-9(17(21)22)6-12(11)15/h2-8H,1H3,(H,21,22)
InChIKeyACWKNOTVKSYOAC-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.89
Rot. Bonds3

About 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid

4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid (PubChem CID 67961895) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
PubChem CID67961895
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
SMILESCOc1cc(F)c(-c2ccnc3ccc(C(=O)O)cc23)c(F)c1
InChIInChI=1S/C17H11F2NO3/c1-23-10-7-13(18)16(14(19)8-10)11-4-5-20-15-3-2-9(17(21)22)6-12(11)15/h2-8H,1H3,(H,21,22)
InChIKeyACWKNOTVKSYOAC-UHFFFAOYSA-N
XLogP3.89
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-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

3-(2,6-difluoro-4-methoxyphenyl)-4-methylbenzoic acid
CID 81475981
3-(2,6-difluoro-4-methoxyphenyl)-4-methoxybenzoic acid
CID 61026090
5-fluoro-7-methoxyquinoline-3-carboxylic acid
CID 129247852
methyl 4-(2-chloro-6-fluorophenyl)quinoline-6-carboxylate
CID 67960959
4-(4-chloro-2,6-difluorophenyl)-N-(diaminomethylidene)quinoline-6-carboxamide
CID 67961380
4-methylquinoline-6-carboxylic acid;hydrochloride
CID 71811102
4-(2,6-difluoro-3-methoxyphenyl)-8-methylquinoline-6-carboxylic acid
CID 67961965
2-(2,6-difluoro-4-methoxyphenyl)-6-fluorobenzoic acid
CID 114560379
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
methyl 4-(2-chloro-5-fluorophenyl)quinoline-6-carboxylate
CID 67961079
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid?
The IUPAC name of 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid (CID 67961895) is 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid.
What is the SMILES notation for 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid?
The canonical SMILES for 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid is COc1cc(F)c(-c2ccnc3ccc(C(=O)O)cc23)c(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid?
The InChIKey is ACWKNOTVKSYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c1-23-10-7-13(18)16(14(19)8-10)11-4-5-20-15-3-2-9(17(21)22)6-12(11)15/h2-8H,1H3,(H,21,22).
What are the key properties of 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid?
4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid has a molecular weight of 315.28 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid is sourced from PubChem (CID 67961895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).