4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid

C17H11NO5 — CID 135568407

IUPAC4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H11NO5/c19-14(9-5-7-10(8-6-9)17(22)23)13-15(20)11-3-1-2-4-12(11)18-16(13)21/h1-8H,(H,22,23)(H2,18,20,21)
InChIKeyZPMHLPZTLLHCNH-UHFFFAOYSA-N
MW309.28 g/mol
LogP2.16
Rot. Bonds3

About 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid

4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid (PubChem CID 135568407) has the molecular formula C17H11NO5 and a molecular weight of 309.28 g/mol. Its IUPAC name is 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid.

Molecular Properties

Compound Name4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
PubChem CID135568407
Molecular FormulaC17H11NO5
Molecular Weight309.28 g/mol
Exact Mass309.06
IUPAC Name4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
SMILESO=C(O)c1ccc(C(=O)c2c(O)c3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C17H11NO5/c19-14(9-5-7-10(8-6-9)17(22)23)13-15(20)11-3-1-2-4-12(11)18-16(13)21/h1-8H,(H,22,23)(H2,18,20,21)
InChIKeyZPMHLPZTLLHCNH-UHFFFAOYSA-N
XLogP2.16
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-amino-3-benzoyl-1H-quinolin-2-one
CID 11737142
benzoic acid;9H-carbazole
CID 162147282
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
CID 166443266
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
3-benzoyl-1H-indole-2-carboxylic acid
CID 22917099
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
4-hydroxy-2-oxo-3-phenyl-1H-quinoline-6-carboxylic acid
CID 54737899
bis(3-hydroxy-1H-indol-2-yl)methanone
CID 151180929
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one
CID 142092755

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid?
The IUPAC name of 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid (CID 135568407) is 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid.
What is the SMILES notation for 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid?
The canonical SMILES for 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid is O=C(O)c1ccc(C(=O)c2c(O)c3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid?
The InChIKey is ZPMHLPZTLLHCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO5/c19-14(9-5-7-10(8-6-9)17(22)23)13-15(20)11-3-1-2-4-12(11)18-16(13)21/h1-8H,(H,22,23)(H2,18,20,21).
What are the key properties of 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid?
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid has a molecular weight of 309.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid is sourced from PubChem (CID 135568407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).