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

C13H16N2O — CID 45272441

IUPAC2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCc1ccc2c(c1)N1CCCCC1C(=O)N2
InChIInChI=1S/C13H16N2O/c1-9-5-6-10-12(8-9)15-7-3-2-4-11(15)13(16)14-10/h5-6,8,11H,2-4,7H2,1H3,(H,14,16)
InChIKeyOFRGWIYIDHMBQQ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.31
Rot. Bonds

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

2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 45272441) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID45272441
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCc1ccc2c(c1)N1CCCCC1C(=O)N2
InChIInChI=1S/C13H16N2O/c1-9-5-6-10-12(8-9)15-7-3-2-4-11(15)13(16)14-10/h5-6,8,11H,2-4,7H2,1H3,(H,14,16)
InChIKeyOFRGWIYIDHMBQQ-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 45272441) is 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is Cc1ccc2c(c1)N1CCCCC1C(=O)N2.
What is the InChIKey of 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is OFRGWIYIDHMBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-6-10-12(8-9)15-7-3-2-4-11(15)13(16)14-10/h5-6,8,11H,2-4,7H2,1H3,(H,14,16).
What are the key properties of 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 216.28 g/mol, XLogP of 2.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 45272441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).