2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C28H20F4N4O — CID 10164198

IUPAC2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(NCc3ccc(F)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C28H20F4N4O/c29-19-13-11-18(12-14-19)17-33-24-15-22(28(30,31)32)26-23(37)16-25(34-20-7-3-1-4-8-20)36(27(26)35-24)21-9-5-2-6-10-21/h1-16,34H,17H2,(H,33,35)
InChIKeyZBEBPCJKYSZYTJ-UHFFFAOYSA-N
MW504.49 g/mol
LogP6.90
Rot. Bonds6

About 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10164198) has the molecular formula C28H20F4N4O and a molecular weight of 504.49 g/mol. Its IUPAC name is 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10164198
Molecular FormulaC28H20F4N4O
Molecular Weight504.49 g/mol
Exact Mass504.16
IUPAC Name2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(NCc3ccc(F)cc3)cc(C(F)(F)F)c12
InChIInChI=1S/C28H20F4N4O/c29-19-13-11-18(12-14-19)17-33-24-15-22(28(30,31)32)26-23(37)16-25(34-20-7-3-1-4-8-20)36(27(26)35-24)21-9-5-2-6-10-21/h1-16,34H,17H2,(H,33,35)
InChIKeyZBEBPCJKYSZYTJ-UHFFFAOYSA-N
XLogP6.90
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.49
LogP ≤ 56.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10164198) is 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(NCc3ccc(F)cc3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is ZBEBPCJKYSZYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F4N4O/c29-19-13-11-18(12-14-19)17-33-24-15-22(28(30,31)32)26-23(37)16-25(34-20-7-3-1-4-8-20)36(27(26)35-24)21-9-5-2-6-10-21/h1-16,34H,17H2,(H,33,35).
What are the key properties of 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 504.49 g/mol, XLogP of 6.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-[(4-fluorophenyl)methylamino]-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10164198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).