N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide

C21H19N3O2 — CID 51127250

IUPACN-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2/c25-20(18-11-10-16-8-4-5-9-17(16)22-18)23-19-12-13-24(21(19)26)14-15-6-2-1-3-7-15/h1-11,19H,12-14H2,(H,23,25)
InChIKeyVTGSZFORAUVKNP-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.77
Rot. Bonds4

About N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide

N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide (PubChem CID 51127250) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
PubChem CID51127250
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)C1=O)c1ccc2ccccc2n1
InChIInChI=1S/C21H19N3O2/c25-20(18-11-10-16-8-4-5-9-17(16)22-18)23-19-12-13-24(21(19)26)14-15-6-2-1-3-7-15/h1-11,19H,12-14H2,(H,23,25)
InChIKeyVTGSZFORAUVKNP-UHFFFAOYSA-N
XLogP2.77
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-methyl-2-oxopyrrolidin-3-yl]quinoline-2-carboxamide
CID 96506885
N-[(3R)-1-benzyl-2-oxopyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 95589689
4-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674455
2-[(1-benzyl-2-oxopyrrolidin-3-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120977235
(2S)-2-amino-N-(1-benzyl-2-oxopyrrolidin-3-yl)propanamide
CID 119308609
2-(4-aminophenyl)-N-(1-benzyl-2-oxopyrrolidin-3-yl)acetamide;hydrochloride
CID 119757803
N-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 119048382
N-[(3S)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-2-naphthalen-2-ylacetamide
CID 124734504
N-(1-benzyl-2-oxopyrrolidin-3-yl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119757847
N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
CID 175113669
N-(3-oxocyclobutyl)quinoline-2-carboxamide
CID 141469344
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-2-(2,3-difluorophenyl)acetamide
CID 97222893

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide?
The IUPAC name of N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide (CID 51127250) is N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide?
The canonical SMILES for N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)C1=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide?
The InChIKey is VTGSZFORAUVKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c25-20(18-11-10-16-8-4-5-9-17(16)22-18)23-19-12-13-24(21(19)26)14-15-6-2-1-3-7-15/h1-11,19H,12-14H2,(H,23,25).
What are the key properties of N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide?
N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-2-oxopyrrolidin-3-yl)quinoline-2-carboxamide is sourced from PubChem (CID 51127250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).