1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide

C15H12N4O2 — CID 168697996

IUPAC1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1c(N2CC(C(N)=O)CC2=O)ccc2ncccc12
InChIInChI=1S/C15H12N4O2/c16-7-11-10-2-1-5-18-12(10)3-4-13(11)19-8-9(15(17)21)6-14(19)20/h1-5,9H,6,8H2,(H2,17,21)
InChIKeyZBZMDHYVCIYARS-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.94
Rot. Bonds2

About 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide

1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168697996) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168697996
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESN#Cc1c(N2CC(C(N)=O)CC2=O)ccc2ncccc12
InChIInChI=1S/C15H12N4O2/c16-7-11-10-2-1-5-18-12(10)3-4-13(11)19-8-9(15(17)21)6-14(19)20/h1-5,9H,6,8H2,(H2,17,21)
InChIKeyZBZMDHYVCIYARS-UHFFFAOYSA-N
XLogP0.94
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
methyl 4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-cyanobenzoate
CID 168696400
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(2-cyclopropylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698149
1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698152
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
1-(2-chloro-6-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697513
1-(2,3-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168698402

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 168697996) is 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide is N#Cc1c(N2CC(C(N)=O)CC2=O)ccc2ncccc12.
What is the InChIKey of 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is ZBZMDHYVCIYARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-7-11-10-2-1-5-18-12(10)3-4-13(11)19-8-9(15(17)21)6-14(19)20/h1-5,9H,6,8H2,(H2,17,21).
What are the key properties of 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide?
1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 280.29 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyanoquinolin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168697996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).