7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one

C13H13ClN2O — CID 84633281

IUPAC7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1C1CCCN1
InChIInChI=1S/C13H13ClN2O/c14-9-4-3-8-6-10(11-2-1-5-15-11)13(17)16-12(8)7-9/h3-4,6-7,11,15H,1-2,5H2,(H,16,17)
InChIKeyDCUKGRHTASXTCM-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.61
Rot. Bonds1

About 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one

7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one (PubChem CID 84633281) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one
PubChem CID84633281
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one
SMILESO=c1[nH]c2cc(Cl)ccc2cc1C1CCCN1
InChIInChI=1S/C13H13ClN2O/c14-9-4-3-8-6-10(11-2-1-5-15-11)13(17)16-12(8)7-9/h3-4,6-7,11,15H,1-2,5H2,(H,16,17)
InChIKeyDCUKGRHTASXTCM-UHFFFAOYSA-N
XLogP2.61
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84621897
7-chloro-3-piperidin-4-yl-1H-quinolin-2-one
CID 53427784
2-(5-chloro-2-ethylphenyl)pyrrolidine
CID 84677413
2-(4-chloro-2-methylphenyl)pyrrolidine
CID 55268605
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
(2R)-2-(4-chloro-2-iodophenyl)pyrrolidine
CID 130648802
(2S)-2-(2-bromo-4-chlorophenyl)pyrrolidine;hydrochloride
CID 171196306
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900
5,7-dimethyl-3-pyrrolidin-2-yl-1H-quinolin-2-one
CID 84630290
(2R)-2-(2,4-dichlorophenyl)piperidine;hydrochloride
CID 171195657
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545
2-(2,4-dichlorophenyl)azepane;hydrochloride
CID 17389702

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one?
The IUPAC name of 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one (CID 84633281) is 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one?
The canonical SMILES for 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one is O=c1[nH]c2cc(Cl)ccc2cc1C1CCCN1.
What is the InChIKey of 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one?
The InChIKey is DCUKGRHTASXTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-9-4-3-8-6-10(11-2-1-5-15-11)13(17)16-12(8)7-9/h3-4,6-7,11,15H,1-2,5H2,(H,16,17).
What are the key properties of 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one?
7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one has a molecular weight of 248.71 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-pyrrolidin-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 84633281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).