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

C13H15ClN2O — CID 114426902

IUPAC4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCC1CCN2c3cccc(Cl)c3NC(=O)C2C1
InChIInChI=1S/C13H15ClN2O/c1-8-5-6-16-10-4-2-3-9(14)12(10)15-13(17)11(16)7-8/h2-4,8,11H,5-7H2,1H3,(H,15,17)
InChIKeyJCVKMDAKVXQCER-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.90
Rot. Bonds

About 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one

4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 114426902) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID114426902
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCC1CCN2c3cccc(Cl)c3NC(=O)C2C1
InChIInChI=1S/C13H15ClN2O/c1-8-5-6-16-10-4-2-3-9(14)12(10)15-13(17)11(16)7-8/h2-4,8,11H,5-7H2,1H3,(H,15,17)
InChIKeyJCVKMDAKVXQCER-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one with MolForge

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Related Compounds

2-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426901
6-methyl-1,8-diazatricyclo[8.6.0.02,7]hexadeca-2,4,6-trien-9-one
CID 114240010
2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114281493
2-methoxy-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114426892
4-ethoxy-8-ethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114431954
3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 103594512
6-chloro-1-ethyl-3-methyl-3,5-dihydro-2H-1,5-benzodiazepin-4-one
CID 104839614
6-chloro-10-methyl-3,3a,5,10a-tetrahydro-1H-furo[3,4-b][1,5]benzodiazepin-4-one
CID 104839648
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanamine
CID 55134862
[2-chloro-6-(2,4-dimethylpiperidin-1-yl)phenyl]methanol
CID 62331045
6-propan-2-yloxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 113393558
8-chloro-2,3,4,4a,5,7-hexahydro-1H-pyrazino[1,2-a][1,5]benzodiazepin-6-one
CID 53240726

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 114426902) is 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is CC1CCN2c3cccc(Cl)c3NC(=O)C2C1.
What is the InChIKey of 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is JCVKMDAKVXQCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-8-5-6-16-10-4-2-3-9(14)12(10)15-13(17)11(16)7-8/h2-4,8,11H,5-7H2,1H3,(H,15,17).
What are the key properties of 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 250.73 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 114426902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).