1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C23H38N4O2 — CID 91925194

IUPAC1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCN1CCN(CCCNC(=O)C23CCCC=C2N(C2CCCC2)C(=O)CC3)CC1
InChIInChI=1S/C23H38N4O2/c1-25-15-17-26(18-16-25)14-6-13-24-22(29)23-11-5-4-9-20(23)27(21(28)10-12-23)19-7-2-3-8-19/h9,19H,2-8,10-18H2,1H3,(H,24,29)
InChIKeyDYATZUFDVAKOGO-UHFFFAOYSA-N
MW402.58 g/mol
LogP2.36
Rot. Bonds6

About 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925194) has the molecular formula C23H38N4O2 and a molecular weight of 402.58 g/mol. Its IUPAC name is 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925194
Molecular FormulaC23H38N4O2
Molecular Weight402.58 g/mol
Exact Mass402.30
IUPAC Name1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCN1CCN(CCCNC(=O)C23CCCC=C2N(C2CCCC2)C(=O)CC3)CC1
InChIInChI=1S/C23H38N4O2/c1-25-15-17-26(18-16-25)14-6-13-24-22(29)23-11-5-4-9-20(23)27(21(28)10-12-23)19-7-2-3-8-19/h9,19H,2-8,10-18H2,1H3,(H,24,29)
InChIKeyDYATZUFDVAKOGO-UHFFFAOYSA-N
XLogP2.36
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.58
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-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-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
N-{2-[cyclohexyl(methyl)amino]ethyl}-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91912796
2-cyclopentyl-N-{[1-methyl-2-oxo-1,3,4,5,6,7-hexahydro-4(2H)-quinolinyl]methyl}acetamide
CID 91920200
1-ethyl-N-[2-(4-morpholinyl)ethyl]-2-oxo-1,3,4,5,6,7-hexahydro-4a(2H)-quinolinecarboxamide
CID 91925181
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
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]acetamide
CID 110196532
N-[(1-methyl-2-oxo-4,5,6,7-tetrahydro-3H-quinolin-4a-yl)methyl]cyclopentanecarboxamide
CID 110196539

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925194) is 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is CN1CCN(CCCNC(=O)C23CCCC=C2N(C2CCCC2)C(=O)CC3)CC1.
What is the InChIKey of 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is DYATZUFDVAKOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N4O2/c1-25-15-17-26(18-16-25)14-6-13-24-22(29)23-11-5-4-9-20(23)27(21(28)10-12-23)19-7-2-3-8-19/h9,19H,2-8,10-18H2,1H3,(H,24,29).
What are the key properties of 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).