(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone

C20H17ClN2O — CID 55731293

IUPAC(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2nc(Cl)ccc2c1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-19-11-9-15-13-16(8-10-17(15)22-19)20(24)23-12-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2
InChIKeyKWERJGKQSIHSOM-UHFFFAOYSA-N
MW336.82 g/mol
LogP4.87
Rot. Bonds2

About (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone

(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone (PubChem CID 55731293) has the molecular formula C20H17ClN2O and a molecular weight of 336.82 g/mol. Its IUPAC name is (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
PubChem CID55731293
Molecular FormulaC20H17ClN2O
Molecular Weight336.82 g/mol
Exact Mass336.10
IUPAC Name(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone
SMILESO=C(c1ccc2nc(Cl)ccc2c1)N1CCCC1c1ccccc1
InChIInChI=1S/C20H17ClN2O/c21-19-11-9-15-13-16(8-10-17(15)22-19)20(24)23-12-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2
InChIKeyKWERJGKQSIHSOM-UHFFFAOYSA-N
XLogP4.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone 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

2H-benzotriazol-5-yl-(2-phenylpyrrolidin-1-yl)methanone
CID 24658228
(2-chloroquinolin-6-yl)-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 55923674
(3,6-dichloro-2-pyridinyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 30417532
(3-bromophenyl)-[(2R)-2-phenylpyrrolidin-1-yl]methanone
CID 41264423
phenyl-[(2R)-2-quinolin-3-ylpyrrolidin-1-yl]methanone
CID 124500188
2-methyl-5-(2-phenylpyrrolidine-1-carbonyl)benzamide
CID 141321340
(2-fluoro-4-pyridinyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 61294927
(3,5-dichloro-4-methoxyphenyl)-(2-phenylpyrrolidin-1-yl)methanone
CID 43048100
(3,4-dichlorophenyl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 110867001
2H-benzotriazol-5-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24658259
(2-chloroquinolin-6-yl)-[2-[(3-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 55957054
(7-chloro-1,3-benzodioxol-5-yl)-(2-phenylpyrrolidin-1-yl)methanone
CID 24658230

Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone (CID 55731293) is (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone is O=C(c1ccc2nc(Cl)ccc2c1)N1CCCC1c1ccccc1.
What is the InChIKey of (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
The InChIKey is KWERJGKQSIHSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O/c21-19-11-9-15-13-16(8-10-17(15)22-19)20(24)23-12-4-7-18(23)14-5-2-1-3-6-14/h1-3,5-6,8-11,13,18H,4,7,12H2.
What are the key properties of (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone?
(2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone has a molecular weight of 336.82 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-6-yl)-(2-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 55731293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).