2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C27H18F3N3O2 — CID 20790875

IUPAC2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Oc3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H18F3N3O2/c28-27(29,30)21-16-24(35-20-14-8-3-9-15-20)32-26-25(21)22(34)17-23(31-18-10-4-1-5-11-18)33(26)19-12-6-2-7-13-19/h1-17,31H
InChIKeyLAHYYBLVJZAXSH-UHFFFAOYSA-N
MW473.45 g/mol
LogP6.94
Rot. Bonds5

About 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790875) has the molecular formula C27H18F3N3O2 and a molecular weight of 473.45 g/mol. Its IUPAC name is 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790875
Molecular FormulaC27H18F3N3O2
Molecular Weight473.45 g/mol
Exact Mass473.14
IUPAC Name2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESO=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Oc3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C27H18F3N3O2/c28-27(29,30)21-16-24(35-20-14-8-3-9-15-20)32-26-25(21)22(34)17-23(31-18-10-4-1-5-11-18)33(26)19-12-6-2-7-13-19/h1-17,31H
InChIKeyLAHYYBLVJZAXSH-UHFFFAOYSA-N
XLogP6.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.45
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790875) is 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is O=c1cc(Nc2ccccc2)n(-c2ccccc2)c2nc(Oc3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is LAHYYBLVJZAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N3O2/c28-27(29,30)21-16-24(35-20-14-8-3-9-15-20)32-26-25(21)22(34)17-23(31-18-10-4-1-5-11-18)33(26)19-12-6-2-7-13-19/h1-17,31H.
What are the key properties of 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 473.45 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).