2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

C14H18N2O2 — CID 114426892

IUPAC2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCOc1ccc2c(c1)N1CCC(C)CC1C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-9-5-6-16-12-8-10(18-2)3-4-11(12)15-14(17)13(16)7-9/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,17)
InChIKeyOJPREQMPRAUMKC-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds1

About 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 114426892) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID114426892
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCOc1ccc2c(c1)N1CCC(C)CC1C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-9-5-6-16-12-8-10(18-2)3-4-11(12)15-14(17)13(16)7-9/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,17)
InChIKeyOJPREQMPRAUMKC-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 114426892) is 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is COc1ccc2c(c1)N1CCC(C)CC1C(=O)N2.
What is the InChIKey of 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is OJPREQMPRAUMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-5-6-16-12-8-10(18-2)3-4-11(12)15-14(17)13(16)7-9/h3-4,8-9,13H,5-7H2,1-2H3,(H,15,17).
What are the key properties of 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 246.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 114426892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).