3-(difluoromethyl)-1-methylquinoxalin-2-one

C10H8F2N2O — CID 164577862

IUPAC3-(difluoromethyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C(F)F)nc2ccccc21
InChIInChI=1S/C10H8F2N2O/c1-14-7-5-3-2-4-6(7)13-8(9(11)12)10(14)15/h2-5,9H,1H3
InChIKeyDBQZLZMNZVRCGW-UHFFFAOYSA-N
MW210.18 g/mol
LogP1.87
Rot. Bonds1

About 3-(difluoromethyl)-1-methylquinoxalin-2-one

3-(difluoromethyl)-1-methylquinoxalin-2-one (PubChem CID 164577862) has the molecular formula C10H8F2N2O and a molecular weight of 210.18 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylquinoxalin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylquinoxalin-2-one
PubChem CID164577862
Molecular FormulaC10H8F2N2O
Molecular Weight210.18 g/mol
Exact Mass210.06
IUPAC Name3-(difluoromethyl)-1-methylquinoxalin-2-one
SMILESCn1c(=O)c(C(F)F)nc2ccccc21
InChIInChI=1S/C10H8F2N2O/c1-14-7-5-3-2-4-6(7)13-8(9(11)12)10(14)15/h2-5,9H,1H3
InChIKeyDBQZLZMNZVRCGW-UHFFFAOYSA-N
XLogP1.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(difluoromethyl)-1-methylquinoxalin-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

3-Methylquinoxalin-2-ol
CID 26384
3-(Trifluoromethyl)-1,2-dihydroquinoxalin-2-one
CID 611792
3-Ethylquinoxalin-2(1H)-one
CID 599963
1-Methyl-1,2-dihydroquinoxalin-2-one
CID 351429
1-(4-Phenylpiperazin-1-yl)perfluoropropan-1-one
CID 2250218
methyl (3-methyl-2-oxoquinoxalin-1(2H)-yl)acetate
CID 1508965
1,3-dimethylquinoxalin-2(1H)-one
CID 351422
3-(1,1-Difluorobut-3-en-1-yl)quinoxaline-2-ol
CID 132092291
1-ethoxy-3-methylquinoxalin-2(1H)-one 4-oxide
CID 710920
3-(dimethylamino)-1-methyl-2(1H)-quinoxalinone
CID 1471092
1-butyl-3-(2-oxopropyl)-2(1H)-quinoxalinone
CID 1736396
Cambridge id 5567124
CID 2250860

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylquinoxalin-2-one?
The IUPAC name of 3-(difluoromethyl)-1-methylquinoxalin-2-one (CID 164577862) is 3-(difluoromethyl)-1-methylquinoxalin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1-methylquinoxalin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1-methylquinoxalin-2-one is Cn1c(=O)c(C(F)F)nc2ccccc21.
What is the InChIKey of 3-(difluoromethyl)-1-methylquinoxalin-2-one?
The InChIKey is DBQZLZMNZVRCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O/c1-14-7-5-3-2-4-6(7)13-8(9(11)12)10(14)15/h2-5,9H,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylquinoxalin-2-one?
3-(difluoromethyl)-1-methylquinoxalin-2-one has a molecular weight of 210.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylquinoxalin-2-one is sourced from PubChem (CID 164577862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).