2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

C15H20N2O — CID 114281493

IUPAC2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCc1cc2c(cc1C)N1CCC(C)CC1C(=O)N2
InChIInChI=1S/C15H20N2O/c1-9-4-5-17-13-8-11(3)10(2)7-12(13)16-15(18)14(17)6-9/h7-9,14H,4-6H2,1-3H3,(H,16,18)
InChIKeyCNCQSVHGMNFING-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.86
Rot. Bonds

About 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 114281493) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID114281493
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCc1cc2c(cc1C)N1CCC(C)CC1C(=O)N2
InChIInChI=1S/C15H20N2O/c1-9-4-5-17-13-8-11(3)10(2)7-12(13)16-15(18)14(17)6-9/h7-9,14H,4-6H2,1-3H3,(H,16,18)
InChIKeyCNCQSVHGMNFING-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one with MolForge

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Related Compounds

3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 103594512
2-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426901
2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426892
4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426902
8,9-dimethoxy-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 80502449
7-iodo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 79290980
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 3127917
(3aR)-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
CID 1487670
(4aR)-9-chloro-8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 10017993
(7S,8aS)-2-(1,3-dioxoisoindol-5-yl)-7-methyl-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 99779506
(3aR)-N-methyl-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-sulfonamide
CID 7826137

Frequently Asked Questions

What is the IUPAC name of 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 114281493) is 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is Cc1cc2c(cc1C)N1CCC(C)CC1C(=O)N2.
What is the InChIKey of 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is CNCQSVHGMNFING-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-4-5-17-13-8-11(3)10(2)7-12(13)16-15(18)14(17)6-9/h7-9,14H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 244.34 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 114281493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).