6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide

C13H17N3O — CID 140650305

IUPAC6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESNC(=O)c1ccc2c(c1)NCC1CCCCN21
InChIInChI=1S/C13H17N3O/c14-13(17)9-4-5-12-11(7-9)15-8-10-3-1-2-6-16(10)12/h4-5,7,10,15H,1-3,6,8H2,(H2,14,17)
InChIKeyCPZRWUVPHHLMRF-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.57
Rot. Bonds1

About 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide

6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 140650305) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID140650305
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESNC(=O)c1ccc2c(c1)NCC1CCCCN21
InChIInChI=1S/C13H17N3O/c14-13(17)9-4-5-12-11(7-9)15-8-10-3-1-2-6-16(10)12/h4-5,7,10,15H,1-3,6,8H2,(H2,14,17)
InChIKeyCPZRWUVPHHLMRF-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 140650305) is 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide is NC(=O)c1ccc2c(c1)NCC1CCCCN21.
What is the InChIKey of 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is CPZRWUVPHHLMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(17)9-4-5-12-11(7-9)15-8-10-3-1-2-6-16(10)12/h4-5,7,10,15H,1-3,6,8H2,(H2,14,17).
What are the key properties of 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide?
6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6a,7,8,9,10-hexahydro-5H-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 140650305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).