1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C21H33N3O3 — CID 91925190

IUPAC1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESO=C1CCC2(C(=O)NCCN3CCOCC3)CCCC=C2N1C1CCCC1
InChIInChI=1S/C21H33N3O3/c25-19-8-10-21(20(26)22-11-12-23-13-15-27-16-14-23)9-4-3-7-18(21)24(19)17-5-1-2-6-17/h7,17H,1-6,8-16H2,(H,22,26)
InChIKeyNSQRPDXBURDFEK-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.05
Rot. Bonds5

About 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925190) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925190
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESO=C1CCC2(C(=O)NCCN3CCOCC3)CCCC=C2N1C1CCCC1
InChIInChI=1S/C21H33N3O3/c25-19-8-10-21(20(26)22-11-12-23-13-15-27-16-14-23)9-4-3-7-18(21)24(19)17-5-1-2-6-17/h7,17H,1-6,8-16H2,(H,22,26)
InChIKeyNSQRPDXBURDFEK-UHFFFAOYSA-N
XLogP2.05
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide 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-4A-(4-ethylpiperazine-1-carbonyl)-1,2,3,4,4A,5,6,7-octahydroquinolin-2-one
CID 91925192
1-Cyclopentyl-N~4A~-ethyl-2-oxo-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 110203908
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-(2-Methoxyethyl)-2-oxo-N~4A~-[3-(1-pyrrolidinyl)propyl]-1,3,4,5,6,7-hexahydro-4A(2H)-quinolinecarboxamide
CID 91912795
N-{2-[cyclohexyl(methyl)amino]ethyl}-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91912796
1-ethyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925181
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
(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-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925190) is 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is O=C1CCC2(C(=O)NCCN3CCOCC3)CCCC=C2N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is NSQRPDXBURDFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c25-19-8-10-21(20(26)22-11-12-23-13-15-27-16-14-23)9-4-3-7-18(21)24(19)17-5-1-2-6-17/h7,17H,1-6,8-16H2,(H,22,26).
What are the key properties of 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-morpholin-4-ylethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).