N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

C21H16N4O2 — CID 113190622

IUPACN-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(c3cccc4cccnc34)C2)cc1
InChIInChI=1S/C21H16N4O2/c22-12-14-6-8-17(9-7-14)24-21(27)16-11-19(26)25(13-16)18-5-1-3-15-4-2-10-23-20(15)18/h1-10,16H,11,13H2,(H,24,27)
InChIKeyGIJMSDADJRYDAR-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.10
Rot. Bonds3

About N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113190622) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113190622
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)C2CC(=O)N(c3cccc4cccnc34)C2)cc1
InChIInChI=1S/C21H16N4O2/c22-12-14-6-8-17(9-7-14)24-21(27)16-11-19(26)25(13-16)18-5-1-3-15-4-2-10-23-20(15)18/h1-10,16H,11,13H2,(H,24,27)
InChIKeyGIJMSDADJRYDAR-UHFFFAOYSA-N
XLogP3.10
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113192052
N-(4-cyanophenyl)-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 42999486
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
N-(4-cyanophenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51157698
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
N-(4-cyanophenyl)-1-(2,6-diethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186937
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190599
(3S)-N-(4-cyanophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892565
N-(4-cyanophenyl)-1-(2,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 46404023
(3S)-N-(4-cyanophenyl)-1-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9351650

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113190622) is N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is N#Cc1ccc(NC(=O)C2CC(=O)N(c3cccc4cccnc34)C2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is GIJMSDADJRYDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-12-14-6-8-17(9-7-14)24-21(27)16-11-19(26)25(13-16)18-5-1-3-15-4-2-10-23-20(15)18/h1-10,16H,11,13H2,(H,24,27).
What are the key properties of N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113190622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).