8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one

C17H14F3N3O — CID 170178121

IUPAC8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one
SMILESC/N=C1\NC(=O)C(C)(c2ccccc2)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C17H14F3N3O/c1-16(10-6-4-3-5-7-10)13-11(14(21-2)23-15(16)24)8-9-12(22-13)17(18,19)20/h3-9H,1-2H3,(H,21,23,24)
InChIKeyUJHMTLYQBFVWDT-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.91
Rot. Bonds1

About 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one

8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one (PubChem CID 170178121) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one.

Molecular Properties

Compound Name8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one
PubChem CID170178121
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one
SMILESC/N=C1\NC(=O)C(C)(c2ccccc2)c2nc(C(F)(F)F)ccc21
InChIInChI=1S/C17H14F3N3O/c1-16(10-6-4-3-5-7-10)13-11(14(21-2)23-15(16)24)8-9-12(22-13)17(18,19)20/h3-9H,1-2H3,(H,21,23,24)
InChIKeyUJHMTLYQBFVWDT-UHFFFAOYSA-N
XLogP2.91
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one?
The IUPAC name of 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one (CID 170178121) is 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one.
What is the SMILES notation for 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one?
The canonical SMILES for 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one is C/N=C1\NC(=O)C(C)(c2ccccc2)c2nc(C(F)(F)F)ccc21.
What is the InChIKey of 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one?
The InChIKey is UJHMTLYQBFVWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-16(10-6-4-3-5-7-10)13-11(14(21-2)23-15(16)24)8-9-12(22-13)17(18,19)20/h3-9H,1-2H3,(H,21,23,24).
What are the key properties of 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one?
8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one has a molecular weight of 333.31 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-methylimino-8-phenyl-2-(trifluoromethyl)-1,6-naphthyridin-7-one is sourced from PubChem (CID 170178121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).