ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate

C26H23NO5 — CID 90796257

IUPACethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H23NO5/c1-2-31-26(30)23-24(28)21-14-13-20(32-17-19-11-7-4-8-12-19)15-22(21)27(25(23)29)16-18-9-5-3-6-10-18/h3-15,28H,2,16-17H2,1H3
InChIKeyUZUMQBSKEMUMPM-UHFFFAOYSA-N
MW429.47 g/mol
LogP4.51
Rot. Bonds7

About ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate

ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate (PubChem CID 90796257) has the molecular formula C26H23NO5 and a molecular weight of 429.47 g/mol. Its IUPAC name is ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
PubChem CID90796257
Molecular FormulaC26H23NO5
Molecular Weight429.47 g/mol
Exact Mass429.16
IUPAC Nameethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate
SMILESCCOC(=O)c1c(O)c2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O
InChIInChI=1S/C26H23NO5/c1-2-31-26(30)23-24(28)21-14-13-20(32-17-19-11-7-4-8-12-19)15-22(21)27(25(23)29)16-18-9-5-3-6-10-18/h3-15,28H,2,16-17H2,1H3
InChIKeyUZUMQBSKEMUMPM-UHFFFAOYSA-N
XLogP4.51
TPSA77.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.47
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-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-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 54711837
ethyl 1-benzyl-6-chloro-4-hydroxy-2-oxoquinoline-3-carboxylate
CID 69477265
ethyl 4-hydroxy-1-methyl-2-oxo-7-phenoxyquinoline-3-carboxylate
CID 76852698
ethyl 4-hydroxy-2-(2-methylpropyl)-1-oxo-7-phenylmethoxyisoquinoline-3-carboxylate
CID 54725281
7-butoxy-1-hexyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
CID 139717726
7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
CID 139717487
ethyl 5-[(1-benzyl-5-iodotriazol-4-yl)methoxy]-1,2-dimethylindole-3-carboxylate
CID 134853353
diethyl 1-benzyl-3,4-dihydroxypyrrole-2,5-dicarboxylate
CID 54682554
(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
1-benzyl-4-hydroxy-2-oxoquinoline-3-carboxylic acid
CID 54726736
2-[(1-benzyl-4-hydroxy-2-oxo-6-propoxyquinoline-3-carbonyl)amino]acetic acid
CID 143432319
1-benzyl-4-hydroxy-6-phenylmethoxyquinolin-2-one
CID 54729466

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate (CID 90796257) is ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate is CCOC(=O)c1c(O)c2ccc(OCc3ccccc3)cc2n(Cc2ccccc2)c1=O.
What is the InChIKey of ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate?
The InChIKey is UZUMQBSKEMUMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO5/c1-2-31-26(30)23-24(28)21-14-13-20(32-17-19-11-7-4-8-12-19)15-22(21)27(25(23)29)16-18-9-5-3-6-10-18/h3-15,28H,2,16-17H2,1H3.
What are the key properties of ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate?
ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate has a molecular weight of 429.47 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-hydroxy-2-oxo-7-phenylmethoxyquinoline-3-carboxylate is sourced from PubChem (CID 90796257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).