6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one

C27H25N3O — CID 18715602

IUPAC6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC1C(=O)Nc2ccc(C(C)(c3ccccc3)c3cnc[nH]3)cc2C1c1ccccc1
InChIInChI=1S/C27H25N3O/c1-18-25(19-9-5-3-6-10-19)22-15-21(13-14-23(22)30-26(18)31)27(2,24-16-28-17-29-24)20-11-7-4-8-12-20/h3-18,25H,1-2H3,(H,28,29)(H,30,31)
InChIKeyISMAAPVWCYQOMC-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.48
Rot. Bonds4

About 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one

6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 18715602) has the molecular formula C27H25N3O and a molecular weight of 407.52 g/mol. Its IUPAC name is 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID18715602
Molecular FormulaC27H25N3O
Molecular Weight407.52 g/mol
Exact Mass407.20
IUPAC Name6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
SMILESCC1C(=O)Nc2ccc(C(C)(c3ccccc3)c3cnc[nH]3)cc2C1c1ccccc1
InChIInChI=1S/C27H25N3O/c1-18-25(19-9-5-3-6-10-19)22-15-21(13-14-23(22)30-26(18)31)27(2,24-16-28-17-29-24)20-11-7-4-8-12-20/h3-18,25H,1-2H3,(H,28,29)(H,30,31)
InChIKeyISMAAPVWCYQOMC-UHFFFAOYSA-N
XLogP5.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

4-Cyano-N-(2-Cyclohex-1-En-1-Yl-4-Piperidin-4-Ylphenyl)-1h-Imidazole-2-Carboxamide
CID 11696478
5-cyano-N-[2-(4-methylcyclohexen-1-yl)-4-piperidin-4-ylphenyl]-1H-imidazole-2-carboxamide
CID 11555179
4-cyano-N-(2-(4,4-dimethylcyclohex-1-enyl)-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24783358
4-cyano-N-(2-cyclohexenyl-4-(2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 24785380
4-cyano-N-(2-cyclohexenyl-4-(1-methyl-2,6-dioxopiperidin-4-yl)phenyl)-1H-imidazole-2-carboxamide
CID 25104233
(2S)-6-methyl-N-[(1S)-7-oxo-1-[5-(6-quinolyl)-1H-imidazol-2-yl]nonyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506558
(2S)-6-methyl-N-[(1S)-1-[5-(2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 162506569
(2S)-N-[(1S)-1-[5-(7-fluoro-2-methylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506653
(2S)-N-[(1S)-1-[5-(2-ethylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506666
(2S)-N-[(1S)-1-[5-(2-cyclopropylquinolin-6-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 162506769
Ac-His-Arg-D-Bip-D-Tic-NH2
CID 162654633
Ac-His-Arg-D-Bip-Tic-NH2
CID 162672755

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one (CID 18715602) is 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one is CC1C(=O)Nc2ccc(C(C)(c3ccccc3)c3cnc[nH]3)cc2C1c1ccccc1.
What is the InChIKey of 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ISMAAPVWCYQOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O/c1-18-25(19-9-5-3-6-10-19)22-15-21(13-14-23(22)30-26(18)31)27(2,24-16-28-17-29-24)20-11-7-4-8-12-20/h3-18,25H,1-2H3,(H,28,29)(H,30,31).
What are the key properties of 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one?
6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 407.52 g/mol, XLogP of 5.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1H-imidazol-5-yl)-1-phenylethyl]-3-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 18715602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).