4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one

C20H22N2O3 — CID 96535372

IUPAC4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O3/c23-18-10-4-2-7-14(18)17-9-5-11-22(17)20(25)15-12-19(24)21-16-8-3-1-6-13(15)16/h1,3,6,8,12,14,17H,2,4-5,7,9-11H2,(H,21,24)/t14-,17+/m1/s1
InChIKeyKWRUFSFYJHFECI-PBHICJAKSA-N
MW338.41 g/mol
LogP2.89
Rot. Bonds2

About 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one

4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 96535372) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID96535372
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C20H22N2O3/c23-18-10-4-2-7-14(18)17-9-5-11-22(17)20(25)15-12-19(24)21-16-8-3-1-6-13(15)16/h1,3,6,8,12,14,17H,2,4-5,7,9-11H2,(H,21,24)/t14-,17+/m1/s1
InChIKeyKWRUFSFYJHFECI-PBHICJAKSA-N
XLogP2.89
TPSA70.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)-1H-quinolin-2-one
CID 71940629
N-cyclopropyl-1-(2-oxo-1H-quinoline-4-carbonyl)pyrrolidine-2-carboxamide
CID 78850429
2-[1-(2,3-dihydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 114343667
4-(3-hydroxypiperidine-1-carbonyl)-1H-quinolin-2-one
CID 43390694
3-[2-(2-oxocyclohexyl)pyrrolidine-1-carbonyl]-1H-pyridin-4-one
CID 106741554
2-[1-(3-hydroxy-2-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 82809405
2-[1-(2-chloro-5-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 106501100
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127
2-[1-(2-hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538771
2-[1-(5-bromo-2-chlorobenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79539008
2-[1-(5-chloro-2-hydroxybenzoyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79538765
2-[1-(5-bromothiophene-2-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546011

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 96535372) is 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one is O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is KWRUFSFYJHFECI-PBHICJAKSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-18-10-4-2-7-14(18)17-9-5-11-22(17)20(25)15-12-19(24)21-16-8-3-1-6-13(15)16/h1,3,6,8,12,14,17H,2,4-5,7,9-11H2,(H,21,24)/t14-,17+/m1/s1.
What are the key properties of 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 338.41 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[(1R)-2-oxocyclohexyl]pyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 96535372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).