6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide

C23H35N5O2 — CID 46349932

IUPAC6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)C2CCCCN32)CC1
InChIInChI=1S/C23H35N5O2/c1-2-10-26-13-15-27(16-14-26)11-5-9-24-22(29)18-7-8-20-19(17-18)25-23(30)21-6-3-4-12-28(20)21/h7-8,17,21H,2-6,9-16H2,1H3,(H,24,29)(H,25,30)
InChIKeyQLYAJQMIIBACEA-UHFFFAOYSA-N
MW413.57 g/mol
LogP2.15
Rot. Bonds7

About 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide

6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 46349932) has the molecular formula C23H35N5O2 and a molecular weight of 413.57 g/mol. Its IUPAC name is 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID46349932
Molecular FormulaC23H35N5O2
Molecular Weight413.57 g/mol
Exact Mass413.28
IUPAC Name6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)C2CCCCN32)CC1
InChIInChI=1S/C23H35N5O2/c1-2-10-26-13-15-27(16-14-26)11-5-9-24-22(29)18-7-8-20-19(17-18)25-23(30)21-6-3-4-12-28(20)21/h7-8,17,21H,2-6,9-16H2,1H3,(H,24,29)(H,25,30)
InChIKeyQLYAJQMIIBACEA-UHFFFAOYSA-N
XLogP2.15
TPSA67.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.57
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide (CID 46349932) is 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide is CCCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)C2CCCCN32)CC1.
What is the InChIKey of 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is QLYAJQMIIBACEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O2/c1-2-10-26-13-15-27(16-14-26)11-5-9-24-22(29)18-7-8-20-19(17-18)25-23(30)21-6-3-4-12-28(20)21/h7-8,17,21H,2-6,9-16H2,1H3,(H,24,29)(H,25,30).
What are the key properties of 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide?
6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 413.57 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[3-(4-propylpiperazin-1-yl)propyl]-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 46349932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).