ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate

C19H17NO4 — CID 54711837

IUPACethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H17NO4/c1-2-24-19(23)16-17(21)14-10-6-7-11-15(14)20(18(16)22)12-13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3
InChIKeyZBWKIHSMLZZTRK-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.93
Rot. Bonds4

About ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate

ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate (PubChem CID 54711837) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
PubChem CID54711837
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Nameethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C19H17NO4/c1-2-24-19(23)16-17(21)14-10-6-7-11-15(14)20(18(16)22)12-13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3
InChIKeyZBWKIHSMLZZTRK-UHFFFAOYSA-N
XLogP2.93
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate 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

ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 90796257
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;ethyl 1-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxoquinoline-3-carboxylate;methanol
CID 145270444
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
ethyl 5-benzyl-4-oxopyrano[3,2-b]indole-2-carboxylate
CID 10020576
ethyl 1-benzyl-2-tri(propan-2-yl)silyloxyindole-3-carboxylate
CID 10049503
1-benzyl-N-[3-(diethylamino)propyl]-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685643
1-benzyl-3-(dimethylamino)-4-hydroxyquinolin-2-one
CID 54706810
ethyl 3-benzyl-4-oxoquinazoline-2-carboxylate
CID 53277831
4-hydroxy-2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 135563908
diethyl 2-(5-benzyl-4-oxopyrano[3,2-b]indol-3-yl)-4,6-dimethylpyridine-3,5-dicarboxylate
CID 10369532

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate (CID 54711837) is ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
The InChIKey is ZBWKIHSMLZZTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-24-19(23)16-17(21)14-10-6-7-11-15(14)20(18(16)22)12-13-8-4-3-5-9-13/h3-11,21H,2,12H2,1H3.
What are the key properties of ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate?
ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylate is sourced from PubChem (CID 54711837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).