N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide

C23H18FN3O2 — CID 53169717

IUPACN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc3c2=O)c1C
InChIInChI=1S/C23H18FN3O2/c1-14-6-5-8-19(15(14)2)25-23(29)21-22(28)18-7-3-4-9-20(18)27(26-21)17-12-10-16(24)11-13-17/h3-13H,1-2H3,(H,25,29)
InChIKeyJERZWBFSBWTDNW-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.39
Rot. Bonds3

About N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide

N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide (PubChem CID 53169717) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
PubChem CID53169717
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC NameN-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc3c2=O)c1C
InChIInChI=1S/C23H18FN3O2/c1-14-6-5-8-19(15(14)2)25-23(29)21-22(28)18-7-3-4-9-20(18)27(26-21)17-12-10-16(24)11-13-17/h3-13H,1-2H3,(H,25,29)
InChIKeyJERZWBFSBWTDNW-UHFFFAOYSA-N
XLogP4.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxy-6-oxopyridazine-3-carboxamide
CID 8557159
N-cyclopentyl-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide
CID 53169768
N-(3-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169689
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-methoxypyrazole-3-carboxamide
CID 25284371
1-(4-fluorophenyl)-4-methoxy-N-(2-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8557151
N-(5-fluoro-2-methylphenyl)-4-oxo-3-phenylphthalazine-1-carboxamide
CID 4810818
N-(2-methoxy-5-methylphenyl)-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169702
N-(2,3-dimethylphenyl)-4-fluorobenzamide
CID 795282
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(2,3-dimethylphenyl)-3-[[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carbonyl]amino]thiourea
CID 26030593
(2R)-N-(2,3-dimethylphenyl)-2-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]oxypropanamide
CID 92880865
N-benzyl-4-oxo-1-phenylcinnoline-3-carboxamide
CID 53169748

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide (CID 53169717) is N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide is Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3ccccc3c2=O)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
The InChIKey is JERZWBFSBWTDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-14-6-5-8-19(15(14)2)25-23(29)21-22(28)18-7-3-4-9-20(18)27(26-21)17-12-10-16(24)11-13-17/h3-13H,1-2H3,(H,25,29).
What are the key properties of N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide?
N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide has a molecular weight of 387.41 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-4-oxocinnoline-3-carboxamide is sourced from PubChem (CID 53169717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).