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

C17H12N2O5 — CID 166443266

IUPAC2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H12N2O5/c20-14-9-5-1-3-7-11(9)18-15(21)13(14)16(22)19-12-8-4-2-6-10(12)17(23)24/h1-8H,(H,19,22)(H,23,24)(H2,18,20,21)
InChIKeyVDXFINHBRLAPMZ-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.18
Rot. Bonds3

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

2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid (PubChem CID 166443266) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
PubChem CID166443266
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccccc1NC(=O)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H12N2O5/c20-14-9-5-1-3-7-11(9)18-15(21)13(14)16(22)19-12-8-4-2-6-10(12)17(23)24/h1-8H,(H,19,22)(H,23,24)(H2,18,20,21)
InChIKeyVDXFINHBRLAPMZ-UHFFFAOYSA-N
XLogP2.18
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-naphthalen-1-yl-2-oxo-1H-quinoline-3-carboxamide
CID 54686480
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
4-hydroxy-N-(3-methyl-6-oxo-1H-pyridazin-5-yl)-2-oxo-1H-quinoline-3-carboxamide
CID 54689632
N'-(2-chloroacetyl)-4-hydroxy-2-oxo-1H-quinoline-3-carbohydrazide
CID 54679578
N-(4-acetylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54693736
4-hydroxy-2-oxo-N-(1,3,4-thiadiazol-2-yl)-1H-quinoline-3-carboxamide
CID 54713099
4-(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)benzoic acid
CID 135568407
4-hydroxy-2-oxo-N-(1-phenylethyl)-1H-quinoline-3-carboxamide
CID 54677764
N-(3-ethylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54740490
N-(3-fluoro-4-methylphenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54706964
2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 28773270
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The IUPAC name of 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid (CID 166443266) is 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid is O=C(O)c1ccccc1NC(=O)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
The InChIKey is VDXFINHBRLAPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-14-9-5-1-3-7-11(9)18-15(21)13(14)16(22)19-12-8-4-2-6-10(12)17(23)24/h1-8H,(H,19,22)(H,23,24)(H2,18,20,21).
What are the key properties of 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid?
2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid has a molecular weight of 324.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoic acid is sourced from PubChem (CID 166443266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).