1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one

C21H33N3O2 — CID 91925192

IUPAC1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCCN1CCN(C(=O)C23CCCC=C2N(C2CCCC2)C(=O)CC3)CC1
InChIInChI=1S/C21H33N3O2/c1-2-22-13-15-23(16-14-22)20(26)21-11-6-5-9-18(21)24(19(25)10-12-21)17-7-3-4-8-17/h9,17H,2-8,10-16H2,1H3
InChIKeyRKKWJYBWUIQQIS-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.77
Rot. Bonds3

About 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one

1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one (PubChem CID 91925192) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
PubChem CID91925192
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
SMILESCCN1CCN(C(=O)C23CCCC=C2N(C2CCCC2)C(=O)CC3)CC1
InChIInChI=1S/C21H33N3O2/c1-2-22-13-15-23(16-14-22)20(26)21-11-6-5-9-18(21)24(19(25)10-12-21)17-7-3-4-8-17/h9,17H,2-8,10-16H2,1H3
InChIKeyRKKWJYBWUIQQIS-UHFFFAOYSA-N
XLogP2.77
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N~4A~-{2-[Cyclohexyl(methyl)amino]ethyl}-1-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925188
1-Cyclopentyl-N~4A~-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 110203908
1-ethyl-4a-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 53015308
1-Cyclopentyl-N-[2-(4-ethylpiperazin-1-YL)ethyl]-2-oxo-1,2,3,4,4A,5,6,7-octahydroquinoline-4A-carboxamide
CID 91912792
1-Cyclopentyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925190
1-cyclopentyl-2-oxo-N-(2-piperidinoethyl)-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925193
1-Cyclopentyl-N~4A~-[3-(4-methylpiperazino)propyl]-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91925194
N-cyclopentyl-1-ethyl-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 110203901
1-ethyl-4a-(morpholine-4-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one
CID 110203904
1-Cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one
CID 124079269
(4aR)-1-cyclopentyl-4a-(4-propan-2-ylpiperazine-1-carbonyl)-3,4,5,6-tetrahydrocyclopenta[b]pyridin-2-one
CID 164630269
(4aR)-1-cyclopentyl-N-(3-methylbutyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
CID 164641843

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The IUPAC name of 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one (CID 91925192) is 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one.
What is the SMILES notation for 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The canonical SMILES for 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one is CCN1CCN(C(=O)C23CCCC=C2N(C2CCCC2)C(=O)CC3)CC1.
What is the InChIKey of 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
The InChIKey is RKKWJYBWUIQQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-2-22-13-15-23(16-14-22)20(26)21-11-6-5-9-18(21)24(19(25)10-12-21)17-7-3-4-8-17/h9,17H,2-8,10-16H2,1H3.
What are the key properties of 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one?
1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one has a molecular weight of 359.51 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4a-(4-ethylpiperazine-1-carbonyl)-4,5,6,7-tetrahydro-3H-quinolin-2-one is sourced from PubChem (CID 91925192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).