1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid

C17H13NO4 — CID 54726736

IUPAC1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)18(16(20)14(15)17(21)22)10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,21,22)
InChIKeyUCQBLCMUHNLJLR-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.45
Rot. Bonds3

About 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid

1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid (PubChem CID 54726736) has the molecular formula C17H13NO4 and a molecular weight of 295.29 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
PubChem CID54726736
Molecular FormulaC17H13NO4
Molecular Weight295.29 g/mol
Exact Mass295.08
IUPAC Name1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
SMILESO=C(O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)18(16(20)14(15)17(21)22)10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,21,22)
InChIKeyUCQBLCMUHNLJLR-UHFFFAOYSA-N
XLogP2.45
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 135563908
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
N-(1,3-benzothiazol-2-yl)-1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54712910
1-[(4-fluorophenyl)methyl]-4-hydroxy-6-methyl-2-oxoquinoline-3-carboxylic acid
CID 54679961
1-benzyl-3-(4,5-dihydro-1H-imidazol-2-yl)-4-hydroxyquinolin-2-one
CID 135697392
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 54731920
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
2-[(1-benzyl-4,6,7-trihydroxy-2-oxoquinoline-3-carbonyl)amino]acetic acid
CID 54685179
N-[(4-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680635

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid (CID 54726736) is 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid is O=C(O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
The InChIKey is UCQBLCMUHNLJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)18(16(20)14(15)17(21)22)10-11-6-2-1-3-7-11/h1-9,19H,10H2,(H,21,22).
What are the key properties of 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid?
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid has a molecular weight of 295.29 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 54726736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).