2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one

C22H16F3N3O — CID 10178798

IUPAC2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(C(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C22H16F3N3O/c1-14-12-17-20(21(26-14)22(23,24)25)18(29)13-19(27-15-8-4-2-5-9-15)28(17)16-10-6-3-7-11-16/h2-13,27H,1H3
InChIKeyZYWKGDXDWPBJLX-UHFFFAOYSA-N
MW395.38 g/mol
LogP5.46
Rot. Bonds3

About 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one

2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one (PubChem CID 10178798) has the molecular formula C22H16F3N3O and a molecular weight of 395.38 g/mol. Its IUPAC name is 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
PubChem CID10178798
Molecular FormulaC22H16F3N3O
Molecular Weight395.38 g/mol
Exact Mass395.12
IUPAC Name2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(C(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C22H16F3N3O/c1-14-12-17-20(21(26-14)22(23,24)25)18(29)13-19(27-15-8-4-2-5-9-15)28(17)16-10-6-3-7-11-16/h2-13,27H,1H3
InChIKeyZYWKGDXDWPBJLX-UHFFFAOYSA-N
XLogP5.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.38
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one (CID 10178798) is 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one is Cc1cc2c(c(C(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
The InChIKey is ZYWKGDXDWPBJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N3O/c1-14-12-17-20(21(26-14)22(23,24)25)18(29)13-19(27-15-8-4-2-5-9-15)28(17)16-10-6-3-7-11-16/h2-13,27H,1H3.
What are the key properties of 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one?
2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one has a molecular weight of 395.38 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-methyl-1-phenyl-5-(trifluoromethyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 10178798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).