6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one

C10H9FN2O — CID 59874558

IUPAC6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2[nH]c(=O)c(C)nc2cc1F
InChIInChI=1S/C10H9FN2O/c1-5-3-8-9(4-7(5)11)12-6(2)10(14)13-8/h3-4H,1-2H3,(H,13,14)
InChIKeyHJSJETNENJSVSE-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.68
Rot. Bonds

About 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one

6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one (PubChem CID 59874558) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
PubChem CID59874558
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one
SMILESCc1cc2[nH]c(=O)c(C)nc2cc1F
InChIInChI=1S/C10H9FN2O/c1-5-3-8-9(4-7(5)11)12-6(2)10(14)13-8/h3-4H,1-2H3,(H,13,14)
InChIKeyHJSJETNENJSVSE-UHFFFAOYSA-N
XLogP1.68
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
CID 11680094
6-bromo-3,7-dimethyl-1H-quinoxalin-2-one
CID 59874508
5-fluoro-6-methyl-2-methylsulfonyl-1H-benzimidazole
CID 90821607
7-bromo-6,8-difluoro-3-methyl-1H-quinoxalin-2-one
CID 169110681
6-bromo-3-methyl-1H-quinoxalin-2-one
CID 11630070
4-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)butan-2-one
CID 83857705
6,7-difluoro-3-propyl-1H-quinoxalin-2-one
CID 10537083
7-(aminomethyl)-3-methyl-1H-quinoxalin-2-one
CID 177146036
3-(hydroxyamino)-6,7-dimethyl-1H-quinoxalin-2-one
CID 18526145
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
CID 162410075
5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline
CID 143871450

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one?
The IUPAC name of 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one (CID 59874558) is 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one?
The canonical SMILES for 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one is Cc1cc2[nH]c(=O)c(C)nc2cc1F.
What is the InChIKey of 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one?
The InChIKey is HJSJETNENJSVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-5-3-8-9(4-7(5)11)12-6(2)10(14)13-8/h3-4H,1-2H3,(H,13,14).
What are the key properties of 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one?
6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one has a molecular weight of 192.19 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,7-dimethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 59874558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).