methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate

C26H22N2O4 — CID 139956924

IUPACmethyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H22N2O4/c1-32-26(31)20-13-11-19(12-14-20)17-28-23-10-6-5-9-21(23)22(15-24(28)29)25(30)27-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,30)
InChIKeySBJDMUCSJDMBEX-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.77
Rot. Bonds6

About methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate

methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate (PubChem CID 139956924) has the molecular formula C26H22N2O4 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
PubChem CID139956924
Molecular FormulaC26H22N2O4
Molecular Weight426.47 g/mol
Exact Mass426.16
IUPAC Namemethyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C26H22N2O4/c1-32-26(31)20-13-11-19(12-14-20)17-28-23-10-6-5-9-21(23)22(15-24(28)29)25(30)27-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,30)
InChIKeySBJDMUCSJDMBEX-UHFFFAOYSA-N
XLogP3.77
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate 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

1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 3642555
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 5051672
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 25238701
methyl 4-[[2-(benzylcarbamoyl)phenoxy]methyl]benzoate
CID 7981645
N,1-dibenzyl-2,3-dimethylindole-5-carboxamide
CID 20940123
methyl 4-[[1-ethyl-6-[(4-methoxyphenyl)methylcarbamoyl]-2,4-dioxoquinazolin-3-yl]methyl]benzoate
CID 70147886
methyl 4-[[(4-oxochromene-3-carbonyl)amino]methyl]benzoate
CID 2406660
methyl 4-[[4-(benzylcarbamoyl)piperidin-1-yl]methyl]benzoate
CID 27107110
3-benzyl-N-[(4-methoxyphenyl)methyl]-1-methyl-2,4-dioxoquinazoline-6-carboxamide
CID 10181036
methyl 4-[[(2-chloro-4,5-difluorobenzoyl)amino]methyl]benzoate
CID 4810749

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate?
The IUPAC name of methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate (CID 139956924) is methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate?
The canonical SMILES for methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate is COC(=O)c1ccc(Cn2c(=O)cc(C(=O)NCc3ccccc3)c3ccccc32)cc1.
What is the InChIKey of methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate?
The InChIKey is SBJDMUCSJDMBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O4/c1-32-26(31)20-13-11-19(12-14-20)17-28-23-10-6-5-9-21(23)22(15-24(28)29)25(30)27-16-18-7-3-2-4-8-18/h2-15H,16-17H2,1H3,(H,27,30).
What are the key properties of methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate?
methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate has a molecular weight of 426.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate is sourced from PubChem (CID 139956924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).