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

C23H18F3N3O2 — CID 10113164

IUPAC2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(OCC(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H18F3N3O2/c1-15-12-18-21(22(27-15)31-14-23(24,25)26)19(30)13-20(28-16-8-4-2-5-9-16)29(18)17-10-6-3-7-11-17/h2-13,28H,14H2,1H3
InChIKeyDUMXVSHHHMZUER-UHFFFAOYSA-N
MW425.41 g/mol
LogP5.38
Rot. Bonds5

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

2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one (PubChem CID 10113164) has the molecular formula C23H18F3N3O2 and a molecular weight of 425.41 g/mol. Its IUPAC name is 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
PubChem CID10113164
Molecular FormulaC23H18F3N3O2
Molecular Weight425.41 g/mol
Exact Mass425.14
IUPAC Name2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(OCC(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H18F3N3O2/c1-15-12-18-21(22(27-15)31-14-23(24,25)26)19(30)13-20(28-16-8-4-2-5-9-16)29(18)17-10-6-3-7-11-17/h2-13,28H,14H2,1H3
InChIKeyDUMXVSHHHMZUER-UHFFFAOYSA-N
XLogP5.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one (CID 10113164) is 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one is Cc1cc2c(c(OCC(F)(F)F)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
The InChIKey is DUMXVSHHHMZUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O2/c1-15-12-18-21(22(27-15)31-14-23(24,25)26)19(30)13-20(28-16-8-4-2-5-9-16)29(18)17-10-6-3-7-11-17/h2-13,28H,14H2,1H3.
What are the key properties of 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one?
2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one has a molecular weight of 425.41 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-methyl-1-phenyl-5-(2,2,2-trifluoroethoxy)-1,6-naphthyridin-4-one is sourced from PubChem (CID 10113164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).