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

C14H17FN2O — CID 103594512

IUPAC3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCc1cc2c(cc1F)NC(=O)C1CC(C)CCN21
InChIInChI=1S/C14H17FN2O/c1-8-3-4-17-12-6-9(2)10(15)7-11(12)16-14(18)13(17)5-8/h6-8,13H,3-5H2,1-2H3,(H,16,18)
InChIKeyXCULWZYALOEMNN-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.69
Rot. Bonds

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

3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (PubChem CID 103594512) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.

Molecular Properties

Compound Name3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
PubChem CID103594512
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
SMILESCc1cc2c(cc1F)NC(=O)C1CC(C)CCN21
InChIInChI=1S/C14H17FN2O/c1-8-3-4-17-12-6-9(2)10(15)7-11(12)16-14(18)13(17)5-8/h6-8,13H,3-5H2,1-2H3,(H,16,18)
InChIKeyXCULWZYALOEMNN-UHFFFAOYSA-N
XLogP2.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,8-trimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one
CID 114281493
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
5-cyclopropyl-8-fluoro-7-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 103594537
7-iodo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 79290980
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
(4aR)-9-chloro-8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinoxalin-5-one
CID 10017993
(10S)-4-fluoro-1,5,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-9-one;hydrochloride
CID 167438879
4-(2-amino-4-fluoro-5-methylphenyl)-3-ethylpiperazin-2-one
CID 103590402
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The IUPAC name of 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one (CID 103594512) is 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one.
What is the SMILES notation for 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The canonical SMILES for 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is Cc1cc2c(cc1F)NC(=O)C1CC(C)CCN21.
What is the InChIKey of 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
The InChIKey is XCULWZYALOEMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-8-3-4-17-12-6-9(2)10(15)7-11(12)16-14(18)13(17)5-8/h6-8,13H,3-5H2,1-2H3,(H,16,18).
What are the key properties of 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one?
3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one has a molecular weight of 248.30 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,8-dimethyl-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxalin-6-one is sourced from PubChem (CID 103594512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).