7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one

C13H17FN2O — CID 103594407

IUPAC7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1cc2c(cc1F)NC(=O)C(CC(C)C)N2
InChIInChI=1S/C13H17FN2O/c1-7(2)4-12-13(17)16-11-6-9(14)8(3)5-10(11)15-12/h5-7,12,15H,4H2,1-3H3,(H,16,17)
InChIKeyUUKTZRFBHSGFPK-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.91
Rot. Bonds2

About 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one

7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 103594407) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID103594407
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
SMILESCc1cc2c(cc1F)NC(=O)C(CC(C)C)N2
InChIInChI=1S/C13H17FN2O/c1-7(2)4-12-13(17)16-11-6-9(14)8(3)5-10(11)15-12/h5-7,12,15H,4H2,1-3H3,(H,16,17)
InChIKeyUUKTZRFBHSGFPK-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-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

7-chloro-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290502
3-ethyl-6,7-difluoro-3,4-dihydro-1H-quinoxalin-2-one
CID 82156858
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 79290407
7-fluoro-6-methyl-3-phenyl-3,4-dihydro-1H-quinoxalin-2-one
CID 103594416
(3S)-7-amino-3-(2-methylpropyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 97357778
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
6-bromo-7-fluoro-3-(methoxymethyl)-3,4-dihydro-1H-quinoxalin-2-one
CID 116739838
2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776316
2-[(2S)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]-N-(2-fluorophenyl)acetamide
CID 776317
3-butyl-6-fluoro-7-iodo-3,4-dihydro-1H-quinoxalin-2-one
CID 79291171
7-bromo-3-(2-methylpropyl)-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
CID 79302916
2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)-N-methylacetamide
CID 2897145

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one (CID 103594407) is 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one is Cc1cc2c(cc1F)NC(=O)C(CC(C)C)N2.
What is the InChIKey of 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is UUKTZRFBHSGFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-7(2)4-12-13(17)16-11-6-9(14)8(3)5-10(11)15-12/h5-7,12,15H,4H2,1-3H3,(H,16,17).
What are the key properties of 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one?
7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-3-(2-methylpropyl)-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 103594407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).