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

C21H12F4N2O — CID 44609933

IUPAC3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one
SMILESO=c1c(-c2cccc(F)c2F)nn(Cc2ccc(F)cc2F)c2ccccc12
InChIInChI=1S/C21H12F4N2O/c22-13-9-8-12(17(24)10-13)11-27-18-7-2-1-4-14(18)21(28)20(26-27)15-5-3-6-16(23)19(15)25/h1-10H,11H2
InChIKeyGQFOFQQKCJDOIH-UHFFFAOYSA-N
MW384.33 g/mol
LogP4.67
Rot. Bonds3

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

3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one (PubChem CID 44609933) has the molecular formula C21H12F4N2O and a molecular weight of 384.33 g/mol. Its IUPAC name is 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one.

Molecular Properties

Compound Name3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one
PubChem CID44609933
Molecular FormulaC21H12F4N2O
Molecular Weight384.33 g/mol
Exact Mass384.09
IUPAC Name3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one
SMILESO=c1c(-c2cccc(F)c2F)nn(Cc2ccc(F)cc2F)c2ccccc12
InChIInChI=1S/C21H12F4N2O/c22-13-9-8-12(17(24)10-13)11-27-18-7-2-1-4-14(18)21(28)20(26-27)15-5-3-6-16(23)19(15)25/h1-10H,11H2
InChIKeyGQFOFQQKCJDOIH-UHFFFAOYSA-N
XLogP4.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chlorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one
CID 44609472
7-chloro-1-[(2,4-difluorophenyl)methyl]-3-[3-fluoro-2-(trifluoromethyl)phenyl]cinnolin-4-one
CID 87258920
1-[(2,4-difluorophenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]cinnolin-4-one
CID 44610403
3-[3-chloro-5-(trifluoromethyl)phenyl]-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one
CID 44610085
2-[1-[(2,4-difluorophenyl)methyl]indazol-3-yl]pyridin-4-amine
CID 118875149
[5-[1-[(2,4-difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 90666918
1-[(2,4-difluorophenyl)methyl]-7-methoxy-3-[3-(trifluoromethoxy)phenyl]cinnolin-4-one
CID 67073111
N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052173
8-fluoro-2-[(2-fluorophenyl)methyl]-5-[(3-methylphenyl)methyl]pyrazolo[4,3-c]quinolin-3-one
CID 20918663
5-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 21334392
4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
4-fluoro-2-[(4-oxocinnolin-1-yl)methyl]benzonitrile
CID 103760292

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one?
The IUPAC name of 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one (CID 44609933) is 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one.
What is the SMILES notation for 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one?
The canonical SMILES for 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one is O=c1c(-c2cccc(F)c2F)nn(Cc2ccc(F)cc2F)c2ccccc12.
What is the InChIKey of 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one?
The InChIKey is GQFOFQQKCJDOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12F4N2O/c22-13-9-8-12(17(24)10-13)11-27-18-7-2-1-4-14(18)21(28)20(26-27)15-5-3-6-16(23)19(15)25/h1-10H,11H2.
What are the key properties of 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one?
3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one has a molecular weight of 384.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenyl)-1-[(2,4-difluorophenyl)methyl]cinnolin-4-one is sourced from PubChem (CID 44609933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).