N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide

C17H21N3O2 — CID 75134694

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C17H21N3O2/c1-2-20-9-5-6-12(20)11-18-17(22)14-10-16(21)19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12-13H,2,5-6,9,11H2,1H3,(H,18,22)
InChIKeyOEDJEBCZDWLYRR-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.24
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide (PubChem CID 75134694) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide
PubChem CID75134694
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide
SMILESCCN1CCCC1CNC(=O)C1=CC(=O)N=C2C=CC=CC12
InChIInChI=1S/C17H21N3O2/c1-2-20-9-5-6-12(20)11-18-17(22)14-10-16(21)19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12-13H,2,5-6,9,11H2,1H3,(H,18,22)
InChIKeyOEDJEBCZDWLYRR-UHFFFAOYSA-N
XLogP1.24
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylamino)-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 104640017
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
N-[(1-ethylpyrrolidin-2-yl)methyl]-6-(methylamino)pyridazine-3-carboxamide
CID 62165895
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-hydrazinylbenzamide
CID 62248150
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
N-[(1-ethylpyrrolidin-2-yl)methyl]-7-oxo-8H-1,8-naphthyridine-2-carboxamide
CID 166391177
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
2-[4-(aminomethyl)phenyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 63589407
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
CID 43109626
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141293016
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]tricyclo[4.3.0.02,4]nona-1(9),3,5,7-tetraene-7-carboxamide
CID 123967319

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide (CID 75134694) is N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide is CCN1CCCC1CNC(=O)C1=CC(=O)N=C2C=CC=CC12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide?
The InChIKey is OEDJEBCZDWLYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-20-9-5-6-12(20)11-18-17(22)14-10-16(21)19-15-8-4-3-7-13(14)15/h3-4,7-8,10,12-13H,2,5-6,9,11H2,1H3,(H,18,22).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-4aH-quinoline-4-carboxamide is sourced from PubChem (CID 75134694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).