3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide

C26H22N2O2 — CID 67630284

IUPAC3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
SMILESCC(=O)C(c1ccccc1)c1cccc2nc(-c3ccccc3)c(C)c(C(N)=O)c12
InChIInChI=1S/C26H22N2O2/c1-16-22(26(27)30)24-20(23(17(2)29)18-10-5-3-6-11-18)14-9-15-21(24)28-25(16)19-12-7-4-8-13-19/h3-15,23H,1-2H3,(H2,27,30)
InChIKeyQSOOITUOAMOZMN-UHFFFAOYSA-N
MW394.47 g/mol
LogP5.03
Rot. Bonds5

About 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide

3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide (PubChem CID 67630284) has the molecular formula C26H22N2O2 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
PubChem CID67630284
Molecular FormulaC26H22N2O2
Molecular Weight394.47 g/mol
Exact Mass394.17
IUPAC Name3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide
SMILESCC(=O)C(c1ccccc1)c1cccc2nc(-c3ccccc3)c(C)c(C(N)=O)c12
InChIInChI=1S/C26H22N2O2/c1-16-22(26(27)30)24-20(23(17(2)29)18-10-5-3-6-11-18)14-9-15-21(24)28-25(16)19-12-7-4-8-13-19/h3-15,23H,1-2H3,(H2,27,30)
InChIKeyQSOOITUOAMOZMN-UHFFFAOYSA-N
XLogP5.03
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1S)-2-cyano-1-phenylethyl]-3-methoxy-2-phenylquinoline-4-carboxamide
CID 140532646
methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
CID 67629826
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
CID 141038832
sodium 5-chloro-3-methyl-2-(4-phenylphenyl)quinoline-4-carboxylate
CID 23673409
3-amino-2-phenylquinoline-4-carboxamide
CID 140977990
5-methyl-6-(4-methylphenyl)-3-phenylpyridazine-4-carboxamide
CID 175967812
3,5-dimethyl-2,4-diphenylquinoline
CID 86174433
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide (CID 67630284) is 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide is CC(=O)C(c1ccccc1)c1cccc2nc(-c3ccccc3)c(C)c(C(N)=O)c12.
What is the InChIKey of 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is QSOOITUOAMOZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O2/c1-16-22(26(27)30)24-20(23(17(2)29)18-10-5-3-6-11-18)14-9-15-21(24)28-25(16)19-12-7-4-8-13-19/h3-15,23H,1-2H3,(H2,27,30).
What are the key properties of 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide?
3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-oxo-1-phenylpropyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 67630284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).