2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide

C20H18ClN3O — CID 47049591

IUPAC2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O/c21-16-6-1-4-14(12-16)19-8-3-11-24(19)20(25)23-18-7-2-5-15-13-22-10-9-17(15)18/h1-2,4-7,9-10,12-13,19H,3,8,11H2,(H,23,25)
InChIKeyHWXUMTCMVHPGQT-UHFFFAOYSA-N
MW351.84 g/mol
LogP5.26
Rot. Bonds2

About 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide

2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide (PubChem CID 47049591) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
PubChem CID47049591
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide
SMILESO=C(Nc1cccc2cnccc12)N1CCCC1c1cccc(Cl)c1
InChIInChI=1S/C20H18ClN3O/c21-16-6-1-4-14(12-16)19-8-3-11-24(19)20(25)23-18-7-2-5-15-13-22-10-9-17(15)18/h1-2,4-7,9-10,12-13,19H,3,8,11H2,(H,23,25)
InChIKeyHWXUMTCMVHPGQT-UHFFFAOYSA-N
XLogP5.26
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.84
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide 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

(2R)-N-isoquinolin-5-yl-2-(1-methylpyrrol-2-yl)pyrrolidine-1-carboxamide
CID 95150749
(2R)-N-naphthalen-1-yl-2-pyridin-4-ylpiperidine-1-carboxamide
CID 929734
N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
2-(3-chlorophenyl)-N-[3-(2-methoxyethoxy)phenyl]pyrrolidine-1-carboxamide
CID 87010152
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(3-chlorophenyl)pyrrolidine-1-carboxamide
CID 95131161
N-(2-chlorophenyl)-2-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 50746949
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-methylphenyl]pyrrolidine-1-carboxamide
CID 78892795
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 51118900
(2R)-2-(3-chlorophenyl)-N-[4-(cyclopropylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 51962158
1-[2-(3-chlorophenyl)pyrrolidin-1-yl]-2-pyrimidin-5-ylethanone
CID 166212254
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701
2-[2-(3-chlorophenyl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950016

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide (CID 47049591) is 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide is O=C(Nc1cccc2cnccc12)N1CCCC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide?
The InChIKey is HWXUMTCMVHPGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c21-16-6-1-4-14(12-16)19-8-3-11-24(19)20(25)23-18-7-2-5-15-13-22-10-9-17(15)18/h1-2,4-7,9-10,12-13,19H,3,8,11H2,(H,23,25).
What are the key properties of 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide?
2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide has a molecular weight of 351.84 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-isoquinolin-5-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 47049591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).