5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

C14H13N3O2 — CID 168698201

IUPAC5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C14H13N3O2/c15-14(19)10-7-12(18)17(8-10)11-5-1-3-9-4-2-6-16-13(9)11/h1-6,10H,7-8H2,(H2,15,19)
InChIKeyIONSHDSDDATCEX-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.07
Rot. Bonds2

About 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide

5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (PubChem CID 168698201) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
PubChem CID168698201
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cccc3cccnc23)C1
InChIInChI=1S/C14H13N3O2/c15-14(19)10-7-12(18)17(8-10)11-5-1-3-9-4-2-6-16-13(9)11/h1-6,10H,7-8H2,(H2,15,19)
InChIKeyIONSHDSDDATCEX-UHFFFAOYSA-N
XLogP1.07
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625
ethyl 4-(5-oxo-1-quinolin-8-ylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113190556
N-(3,5-dimethylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190568
S-(5-oxo-1-quinolin-8-ylpyrrolidin-3-yl) ethanethioate
CID 168707029
methyl 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)pyridine-2-carboxylate
CID 168696475
N-(4-cyanophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190622
N-benzyl-N-ethyl-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190542
N-(2-ethyl-6-methylphenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190574
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
5-oxo-N-(2-propan-2-yloxyphenyl)-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190599

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide (CID 168698201) is 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cccc3cccnc23)C1.
What is the InChIKey of 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
The InChIKey is IONSHDSDDATCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-14(19)10-7-12(18)17(8-10)11-5-1-3-9-4-2-6-16-13(9)11/h1-6,10H,7-8H2,(H2,15,19).
What are the key properties of 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide?
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 168698201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).