2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C24H18F5N3O2 — CID 10299182

IUPAC2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C24H18F5N3O2/c1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17/h3-13,30H,1-2H3
InChIKeyPPICVNAHFUVORV-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.21
Rot. Bonds5

About 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 10299182) has the molecular formula C24H18F5N3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID10299182
Molecular FormulaC24H18F5N3O2
Molecular Weight475.42 g/mol
Exact Mass475.13
IUPAC Name2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C24H18F5N3O2/c1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17/h3-13,30H,1-2H3
InChIKeyPPICVNAHFUVORV-UHFFFAOYSA-N
XLogP6.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 10299182) is 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is PPICVNAHFUVORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O2/c1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-14(25)4-8-16)32(23(22)31-21)17-9-5-15(26)6-10-17/h3-13,30H,1-2H3.
What are the key properties of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 475.42 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 10299182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).