2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide

C17H21N3O2 — CID 119531545

IUPAC2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
SMILESCCCN(C(=O)c1cc(=O)[nH]c2ccccc12)C1CCNC1
InChIInChI=1S/C17H21N3O2/c1-2-9-20(12-7-8-18-11-12)17(22)14-10-16(21)19-15-6-4-3-5-13(14)15/h3-6,10,12,18H,2,7-9,11H2,1H3,(H,19,21)
InChIKeyYNLHEJSAVNIULK-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.74
Rot. Bonds4

About 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide

2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide (PubChem CID 119531545) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
PubChem CID119531545
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
SMILESCCCN(C(=O)c1cc(=O)[nH]c2ccccc12)C1CCNC1
InChIInChI=1S/C17H21N3O2/c1-2-9-20(12-7-8-18-11-12)17(22)14-10-16(21)19-15-6-4-3-5-13(14)15/h3-6,10,12,18H,2,7-9,11H2,1H3,(H,19,21)
InChIKeyYNLHEJSAVNIULK-UHFFFAOYSA-N
XLogP1.74
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-6-oxo-N-propyl-N-[(3R)-pyrrolidin-3-yl]-1H-pyridine-3-carboxamide
CID 124612474
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119531656
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
N-piperidin-4-yl-N-propylnaphthalene-1-carboxamide
CID 119824426
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
2-phenyl-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532603
6-oxo-N-propyl-N-pyrrolidin-3-yl-1H-pyridine-3-carboxamide
CID 63300842
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide (CID 119531545) is 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide is CCCN(C(=O)c1cc(=O)[nH]c2ccccc12)C1CCNC1.
What is the InChIKey of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide?
The InChIKey is YNLHEJSAVNIULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-9-20(12-7-8-18-11-12)17(22)14-10-16(21)19-15-6-4-3-5-13(14)15/h3-6,10,12,18H,2,7-9,11H2,1H3,(H,19,21).
What are the key properties of 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide?
2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119531545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).