N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide

C20H19N3O — CID 58315704

IUPACN-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1nccc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(19-18-4-2-1-3-15(18)10-12-22-19)23-17-7-5-14(6-8-17)16-9-11-21-13-16/h1-8,10,12,16,21H,9,11,13H2,(H,23,24)
InChIKeyPMLJGFDBYYJWSQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.56
Rot. Bonds3

About N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide

N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide (PubChem CID 58315704) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide
PubChem CID58315704
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC NameN-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide
SMILESO=C(Nc1ccc(C2CCNC2)cc1)c1nccc2ccccc12
InChIInChI=1S/C20H19N3O/c24-20(19-18-4-2-1-3-15(18)10-12-22-19)23-17-7-5-14(6-8-17)16-9-11-21-13-16/h1-8,10,12,16,21H,9,11,13H2,(H,23,24)
InChIKeyPMLJGFDBYYJWSQ-UHFFFAOYSA-N
XLogP3.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-pyrrolidin-3-ylphenyl)isoquinoline-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

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide (CID 58315704) is N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide is O=C(Nc1ccc(C2CCNC2)cc1)c1nccc2ccccc12.
What is the InChIKey of N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide?
The InChIKey is PMLJGFDBYYJWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-20(19-18-4-2-1-3-15(18)10-12-22-19)23-17-7-5-14(6-8-17)16-9-11-21-13-16/h1-8,10,12,16,21H,9,11,13H2,(H,23,24).
What are the key properties of N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide?
N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolidin-3-ylphenyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 58315704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).