3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one

C20H17ClN2O2 — CID 57329601

IUPAC3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H17ClN2O2/c21-16-7-5-13(6-8-16)15-9-10-23(12-15)20(25)17-11-14-3-1-2-4-18(14)22-19(17)24/h1-8,11,15H,9-10,12H2,(H,22,24)
InChIKeySLZAJSWGEUSZCH-UHFFFAOYSA-N
MW352.82 g/mol
LogP3.81
Rot. Bonds2

About 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one

3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (PubChem CID 57329601) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
PubChem CID57329601
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc2ccccc2[nH]c1=O)N1CCC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H17ClN2O2/c21-16-7-5-13(6-8-16)15-9-10-23(12-15)20(25)17-11-14-3-1-2-4-18(14)22-19(17)24/h1-8,11,15H,9-10,12H2,(H,22,24)
InChIKeySLZAJSWGEUSZCH-UHFFFAOYSA-N
XLogP3.81
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylpiperidine-1-carbonyl)-1H-quinolin-2-one
CID 16589973
3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119396572
4-[[1-(2-oxo-1H-quinoline-3-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 70737695
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119518541
3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]-1H-quinolin-2-one;hydrochloride
CID 119623243
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
3-[(2S)-2-(4-methylpentyl)morpholine-4-carbonyl]-1H-quinolin-2-one
CID 95554707
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-7-methyl-1,5-dihydropyrrolo[3,2-c]pyridin-4-one
CID 155372922
(2-bromophenyl)-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146494
[3-(4-chlorophenyl)azepan-1-yl]-(2-methylphenyl)methanone
CID 121146469
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
(2R,3R)-2-methyl-1-(2-oxo-1H-quinoline-3-carbonyl)piperidine-3-carboxylic acid
CID 122115205

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one (CID 57329601) is 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc2ccccc2[nH]c1=O)N1CCC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is SLZAJSWGEUSZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c21-16-7-5-13(6-8-16)15-9-10-23(12-15)20(25)17-11-14-3-1-2-4-18(14)22-19(17)24/h1-8,11,15H,9-10,12H2,(H,22,24).
What are the key properties of 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one?
3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 352.82 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-chlorophenyl)pyrrolidine-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 57329601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).