2-(3,4-difluorophenyl)quinoline-4-carboxylic acid

C16H9F2NO2 — CID 4611633

IUPAC2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2)nc2ccccc12
InChIInChI=1S/C16H9F2NO2/c17-12-6-5-9(7-13(12)18)15-8-11(16(20)21)10-3-1-2-4-14(10)19-15/h1-8H,(H,20,21)
InChIKeyYYYJMQQEPJYIGU-UHFFFAOYSA-N
MW285.25 g/mol
LogP3.88
Rot. Bonds2

About 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid

2-(3,4-difluorophenyl)quinoline-4-carboxylic acid (PubChem CID 4611633) has the molecular formula C16H9F2NO2 and a molecular weight of 285.25 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
PubChem CID4611633
Molecular FormulaC16H9F2NO2
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2)nc2ccccc12
InChIInChI=1S/C16H9F2NO2/c17-12-6-5-9(7-13(12)18)15-8-11(16(20)21)10-3-1-2-4-14(10)19-15/h1-8H,(H,20,21)
InChIKeyYYYJMQQEPJYIGU-UHFFFAOYSA-N
XLogP3.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)quinoline-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

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
7-(3,4-difluorophenyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-9-carboxylic acid
CID 18073489
N-(3,4-difluorophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 1012287
2-(3,4-dichlorophenyl)quinoline-4-carbonyl chloride
CID 46779248
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid (CID 4611633) is 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(F)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid?
The InChIKey is YYYJMQQEPJYIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2NO2/c17-12-6-5-9(7-13(12)18)15-8-11(16(20)21)10-3-1-2-4-14(10)19-15/h1-8H,(H,20,21).
What are the key properties of 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid?
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 4611633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).