1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide

C20H17N3O3 — CID 78813070

IUPAC1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H17N3O3/c24-18-9-4-10-23(18)15-7-3-6-14(12-15)21-20(26)17-11-13-5-1-2-8-16(13)19(25)22-17/h1-3,5-8,11-12H,4,9-10H2,(H,21,26)(H,22,25)
InChIKeyRJIMXONWGOTTHG-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.91
Rot. Bonds3

About 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide

1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide (PubChem CID 78813070) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide
PubChem CID78813070
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H17N3O3/c24-18-9-4-10-23(18)15-7-3-6-14(12-15)21-20(26)17-11-13-5-1-2-8-16(13)19(25)22-17/h1-3,5-8,11-12H,4,9-10H2,(H,21,26)(H,22,25)
InChIKeyRJIMXONWGOTTHG-UHFFFAOYSA-N
XLogP2.91
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-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

4-bromo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 18098119
N-(4-morpholin-4-ylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 58543334
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034
N-(4-tert-butylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 40671457
4-[(S)-methylsulfinyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 25472925
N-(3-hydroxyphenyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816654
N-(3,4-difluorophenyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 78802764
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethylsulfanyl)benzamide
CID 8589872
N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)anilino]propyl]benzamide
CID 17487273
N-[3-(2-oxopyrrolidin-1-yl)phenyl]adamantane-2-carboxamide
CID 51213619
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62045003

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide?
The IUPAC name of 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide (CID 78813070) is 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide?
The canonical SMILES for 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide is O=C(Nc1cccc(N2CCCC2=O)c1)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide?
The InChIKey is RJIMXONWGOTTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18-9-4-10-23(18)15-7-3-6-14(12-15)21-20(26)17-11-13-5-1-2-8-16(13)19(25)22-17/h1-3,5-8,11-12H,4,9-10H2,(H,21,26)(H,22,25).
What are the key properties of 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide?
1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide has a molecular weight of 347.37 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 78813070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).