(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

C22H25N3O2 — CID 95121129

IUPAC(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)Cc1ccc([C@@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-14(2)11-15-3-5-16(6-4-15)19-13-21(26)24-20-12-17(7-8-18(19)20)25-10-9-23-22(25)27/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyJBPJIZNEVZGZFL-IBGZPJMESA-N
MW363.46 g/mol
LogP3.89
Rot. Bonds4

About (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one

(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 95121129) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID95121129
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCC(C)Cc1ccc([C@@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-14(2)11-15-3-5-16(6-4-15)19-13-21(26)24-20-12-17(7-8-18(19)20)25-10-9-23-22(25)27/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1
InChIKeyJBPJIZNEVZGZFL-IBGZPJMESA-N
XLogP3.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

(4R)-7-(2-oxoimidazolidin-1-yl)-4-(5-phenyl-1H-pyrazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 95211804
7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(4-methylsulfonylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 169414401
2-hydroxy-5-[(4S)-2-oxo-7-(2-oxo-1,3-oxazolidin-3-yl)-3,4-dihydro-1H-quinolin-4-yl]benzoic acid
CID 95122059
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
(4S)-4-(4-ethylphenyl)-1-(4-fluorophenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136789569
(4S)-6,7-diethoxy-4-(4-ethylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 27518377
7-fluoro-N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46535101
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
methyl N-[4-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 169421884
7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169422313
(4S)-1-tert-butyl-4-(4-ethylphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826055
methyl N-[4-[4-(2-aminoethyl)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]carbamate
CID 170512777

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one (CID 95121129) is (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is CC(C)Cc1ccc([C@@H]2CC(=O)Nc3cc(N4CCNC4=O)ccc32)cc1.
What is the InChIKey of (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JBPJIZNEVZGZFL-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14(2)11-15-3-5-16(6-4-15)19-13-21(26)24-20-12-17(7-8-18(19)20)25-10-9-23-22(25)27/h3-8,12,14,19H,9-11,13H2,1-2H3,(H,23,27)(H,24,26)/t19-/m0/s1.
What are the key properties of (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one?
(4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 363.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[4-(2-methylpropyl)phenyl]-7-(2-oxoimidazolidin-1-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 95121129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).