6,7-difluoro-1,3,8-trimethylcinnolin-4-one

C11H10F2N2O — CID 169152891

IUPAC6,7-difluoro-1,3,8-trimethylcinnolin-4-one
SMILESCc1nn(C)c2c(C)c(F)c(F)cc2c1=O
InChIInChI=1S/C11H10F2N2O/c1-5-9(13)8(12)4-7-10(5)15(3)14-6(2)11(7)16/h4H,1-3H3
InChIKeyJGZCYVWRWSYVOO-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.83
Rot. Bonds

About 6,7-difluoro-1,3,8-trimethylcinnolin-4-one

6,7-difluoro-1,3,8-trimethylcinnolin-4-one (PubChem CID 169152891) has the molecular formula C11H10F2N2O and a molecular weight of 224.21 g/mol. Its IUPAC name is 6,7-difluoro-1,3,8-trimethylcinnolin-4-one.

Molecular Properties

Compound Name6,7-difluoro-1,3,8-trimethylcinnolin-4-one
PubChem CID169152891
Molecular FormulaC11H10F2N2O
Molecular Weight224.21 g/mol
Exact Mass224.08
IUPAC Name6,7-difluoro-1,3,8-trimethylcinnolin-4-one
SMILESCc1nn(C)c2c(C)c(F)c(F)cc2c1=O
InChIInChI=1S/C11H10F2N2O/c1-5-9(13)8(12)4-7-10(5)15(3)14-6(2)11(7)16/h4H,1-3H3
InChIKeyJGZCYVWRWSYVOO-UHFFFAOYSA-N
XLogP1.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-Fluorophenyl)methyl]cinnolin-4-one
CID 8169271
8-methyl-2-(trifluoromethyl)-3H-quinolin-4-one
CID 278839
1-[[3-(Trifluoromethyl)phenyl]methyl]cinnolin-4-one
CID 8834315
1-Methylcinnolin-4(1H)-one
CID 12361197
1-(Fluoromethyl) cinnolin-4(1h)-one
CID 176490138
1-Ethyl-6,7-difluoro-4-oxocinnoline-3-carbonitrile
CID 23117754
1-[(2,4-Difluorophenyl)methyl]-3-(3,3-dimethylbut-1-ynyl)cinnolin-4-one
CID 25264957
1-[(2,4-Difluorophenyl)methyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]cinnolin-4-one
CID 44608664
1-[(2,4-Difluorophenyl)methyl]-3-(3-propan-2-ylphenyl)cinnolin-4-one
CID 44608828
1-[(2,4-Difluorophenyl)methyl]-3-(2-fluoro-3-methylphenyl)cinnolin-4-one
CID 44609148
1-[(2,4-Difluorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]cinnolin-4-one
CID 44609312
1-[(2-Fluoro-4-methylphenyl)methyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]cinnolin-4-one
CID 44609625

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1,3,8-trimethylcinnolin-4-one?
The IUPAC name of 6,7-difluoro-1,3,8-trimethylcinnolin-4-one (CID 169152891) is 6,7-difluoro-1,3,8-trimethylcinnolin-4-one.
What is the SMILES notation for 6,7-difluoro-1,3,8-trimethylcinnolin-4-one?
The canonical SMILES for 6,7-difluoro-1,3,8-trimethylcinnolin-4-one is Cc1nn(C)c2c(C)c(F)c(F)cc2c1=O.
What is the InChIKey of 6,7-difluoro-1,3,8-trimethylcinnolin-4-one?
The InChIKey is JGZCYVWRWSYVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2O/c1-5-9(13)8(12)4-7-10(5)15(3)14-6(2)11(7)16/h4H,1-3H3.
What are the key properties of 6,7-difluoro-1,3,8-trimethylcinnolin-4-one?
6,7-difluoro-1,3,8-trimethylcinnolin-4-one has a molecular weight of 224.21 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-1,3,8-trimethylcinnolin-4-one is sourced from PubChem (CID 169152891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).