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

C21H16N4O2 — CID 113192052

IUPAC1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)Nc3cccc4cccnc34)CC2=O)cc1
InChIInChI=1S/C21H16N4O2/c22-12-14-6-8-17(9-7-14)25-13-16(11-19(25)26)21(27)24-18-5-1-3-15-4-2-10-23-20(15)18/h1-10,16H,11,13H2,(H,24,27)
InChIKeyBZTLSTLRMWZGEK-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.10
Rot. Bonds3

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

1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 113192052) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID113192052
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESN#Cc1ccc(N2CC(C(=O)Nc3cccc4cccnc34)CC2=O)cc1
InChIInChI=1S/C21H16N4O2/c22-12-14-6-8-17(9-7-14)25-13-16(11-19(25)26)21(27)24-18-5-1-3-15-4-2-10-23-20(15)18/h1-10,16H,11,13H2,(H,24,27)
InChIKeyBZTLSTLRMWZGEK-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

N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190622
1-(3-bromophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 46581777
1-(3-chloro-4-fluorophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113187858
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192015
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 9107582
(3S)-5-oxo-1-(pyridin-2-ylmethyl)-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 94081377
N-(4-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192017
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
(3R)-N-(2-cyanophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7477759
methyl 3-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192036
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190599
N-(4-cyanophenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3620424

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide (CID 113192052) is 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is N#Cc1ccc(N2CC(C(=O)Nc3cccc4cccnc34)CC2=O)cc1.
What is the InChIKey of 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is BZTLSTLRMWZGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-12-14-6-8-17(9-7-14)25-13-16(11-19(25)26)21(27)24-18-5-1-3-15-4-2-10-23-20(15)18/h1-10,16H,11,13H2,(H,24,27).
What are the key properties of 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide?
1-(4-cyanophenyl)-5-oxo-N-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 1-(4-cyanophenyl)-5-oxo-N-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 113192052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).