2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide

C17H19N3O3 — CID 42992469

IUPAC2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O3/c21-15-11-13(12-5-1-2-6-14(12)19-15)17(23)18-8-4-10-20-9-3-7-16(20)22/h1-2,5-6,11H,3-4,7-10H2,(H,18,23)(H,19,21)
InChIKeyDLFXLWXOLYWXHY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.27
Rot. Bonds5

About 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide

2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide (PubChem CID 42992469) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
PubChem CID42992469
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H19N3O3/c21-15-11-13(12-5-1-2-6-14(12)19-15)17(23)18-8-4-10-20-9-3-7-16(20)22/h1-2,5-6,11H,3-4,7-10H2,(H,18,23)(H,19,21)
InChIKeyDLFXLWXOLYWXHY-UHFFFAOYSA-N
XLogP1.27
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 30483403
2-oxo-N-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]-1H-quinoline-4-carboxamide
CID 97445389
N-[2-(3-hydroxypropylsulfanyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 103767277
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 51949127
N-[3-(2,3-dihydroindol-1-yl)propyl]-7-fluoro-2-oxo-1H-quinoline-4-carboxamide
CID 74248010
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 72874902
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 35991644
(2S)-2-amino-3-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 142183186
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide (CID 42992469) is 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide is O=C(NCCCN1CCCC1=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide?
The InChIKey is DLFXLWXOLYWXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-15-11-13(12-5-1-2-6-14(12)19-15)17(23)18-8-4-10-20-9-3-7-16(20)22/h1-2,5-6,11H,3-4,7-10H2,(H,18,23)(H,19,21).
What are the key properties of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 42992469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).