3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid

C17H12ClNO4 — CID 91084121

IUPAC3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(Cc3ccc(Cl)cc3)c(O)c2c1
InChIInChI=1S/C17H12ClNO4/c18-11-4-1-9(2-5-11)7-13-15(20)12-8-10(17(22)23)3-6-14(12)19-16(13)21/h1-6,8H,7H2,(H,22,23)(H2,19,20,21)
InChIKeyKXFPLILSLLXFIE-UHFFFAOYSA-N
MW329.74 g/mol
LogP3.18
Rot. Bonds3

About 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid

3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid (PubChem CID 91084121) has the molecular formula C17H12ClNO4 and a molecular weight of 329.74 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid
PubChem CID91084121
Molecular FormulaC17H12ClNO4
Molecular Weight329.74 g/mol
Exact Mass329.05
IUPAC Name3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c(=O)c(Cc3ccc(Cl)cc3)c(O)c2c1
InChIInChI=1S/C17H12ClNO4/c18-11-4-1-9(2-5-11)7-13-15(20)12-8-10(17(22)23)3-6-14(12)19-16(13)21/h1-6,8H,7H2,(H,22,23)(H2,19,20,21)
InChIKeyKXFPLILSLLXFIE-UHFFFAOYSA-N
XLogP3.18
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.74
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-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-benzyl-6-fluoro-4-hydroxy-1H-quinolin-2-one
CID 54703199
3-[(3,4-dichlorophenyl)methyl]-4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-6-carboxamide
CID 91574789
3-[(3,4-difluorophenyl)methyl]-4-hydroxy-2-oxo-N-(pyridin-4-ylmethyl)-1H-quinoline-6-carboxamide
CID 91565875
4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
CID 54737899
2-[(4-chlorophenyl)methyl]-6-oxo-1H-pyridine-4-carboxylic acid
CID 71212307
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
3-(3-carboxypropanoyl)-4-(hydroxymethyl)-2-oxo-1H-quinoline-6-carboxylic acid
CID 68720150
3-chloro-9H-pyrido[2,3-b]indole-6-carboxylic acid
CID 46185400
cesium;4-chlorobenzoic acid;fluoride
CID 175696882
3-ethyl-2-oxo-1H-quinoline-7-carboxylic acid
CID 59474824
4-chloro(13C)benzoic acid
CID 66995527
1,3-dihydroxy-2H-isoindole-5-carboxylic acid
CID 170693608

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid?
The IUPAC name of 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid (CID 91084121) is 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid is O=C(O)c1ccc2[nH]c(=O)c(Cc3ccc(Cl)cc3)c(O)c2c1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid?
The InChIKey is KXFPLILSLLXFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClNO4/c18-11-4-1-9(2-5-11)7-13-15(20)12-8-10(17(22)23)3-6-14(12)19-16(13)21/h1-6,8H,7H2,(H,22,23)(H2,19,20,21).
What are the key properties of 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid?
3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid has a molecular weight of 329.74 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxylic acid is sourced from PubChem (CID 91084121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).