1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one

C16H12F2N2O — CID 143796366

IUPAC1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one
SMILESCc1nn(Cc2ccc(F)cc2F)c2ccccc2c1=O
InChIInChI=1S/C16H12F2N2O/c1-10-16(21)13-4-2-3-5-15(13)20(19-10)9-11-6-7-12(17)8-14(11)18/h2-8H,9H2,1H3
InChIKeyNEVIFITWJHMHKS-UHFFFAOYSA-N
MW286.28 g/mol
LogP3.03
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one

1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one (PubChem CID 143796366) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one
PubChem CID143796366
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one
SMILESCc1nn(Cc2ccc(F)cc2F)c2ccccc2c1=O
InChIInChI=1S/C16H12F2N2O/c1-10-16(21)13-4-2-3-5-15(13)20(19-10)9-11-6-7-12(17)8-14(11)18/h2-8H,9H2,1H3
InChIKeyNEVIFITWJHMHKS-UHFFFAOYSA-N
XLogP3.03
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-2-phenyl-4(1H)-quinolinone
CID 776143
1-Benzylquinolin-4(1H)-one
CID 13249183
1-Benzyl-2-methylquinolin-4-one
CID 895551
6-Benzoyl-2-phenyl-5-(trifluoromethyl)-3-pyridazinone
CID 4271806
(2E)-1-phenyl-3-[4-(3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)phenyl]prop-2-en-1-one
CID 16193971
2-[2-(2,3-difluorophenyl)ethyl]-3-methyl-1H-quinolin-4-one
CID 44535932
2-[4-(dimethylamino)phenyl]-5,7-difluoro-3-methyl-1H-quinolin-4-one
CID 137635264
1-[(4-Fluorophenyl)methyl]cinnolin-4-one
CID 8169271
4-(4-fluorobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 2834127
3-Benzoyl-1-[4-(trifluoromethyl)phenyl]pyridazin-4-one
CID 2745060
1-[[3-(Trifluoromethyl)phenyl]methyl]cinnolin-4-one
CID 8834315
1-Methyl-2-(4-methylphenyl)quinolin-4-one
CID 13566998

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one (CID 143796366) is 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one is Cc1nn(Cc2ccc(F)cc2F)c2ccccc2c1=O.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one?
The InChIKey is NEVIFITWJHMHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-10-16(21)13-4-2-3-5-15(13)20(19-10)9-11-6-7-12(17)8-14(11)18/h2-8H,9H2,1H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one?
1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one has a molecular weight of 286.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-3-methylcinnolin-4-one is sourced from PubChem (CID 143796366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).