2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one

C27H19F2N3O2 — CID 10115161

IUPAC2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one
SMILESCOc1nc2c(c(-c3ccc(F)cc3)c1F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C27H19F2N3O2/c1-34-27-25(29)23(17-12-14-18(28)15-13-17)24-21(33)16-22(30-19-8-4-2-5-9-19)32(26(24)31-27)20-10-6-3-7-11-20/h2-16,30H,1H3
InChIKeyCJHOWHXLAGJRGG-UHFFFAOYSA-N
MW455.46 g/mol
LogP6.08
Rot. Bonds5

About 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one

2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 10115161) has the molecular formula C27H19F2N3O2 and a molecular weight of 455.46 g/mol. Its IUPAC name is 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one
PubChem CID10115161
Molecular FormulaC27H19F2N3O2
Molecular Weight455.46 g/mol
Exact Mass455.14
IUPAC Name2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one
SMILESCOc1nc2c(c(-c3ccc(F)cc3)c1F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C27H19F2N3O2/c1-34-27-25(29)23(17-12-14-18(28)15-13-17)24-21(33)16-22(30-19-8-4-2-5-9-19)32(26(24)31-27)20-10-6-3-7-11-20/h2-16,30H,1H3
InChIKeyCJHOWHXLAGJRGG-UHFFFAOYSA-N
XLogP6.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.46
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one (CID 10115161) is 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one is COc1nc2c(c(-c3ccc(F)cc3)c1F)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is CJHOWHXLAGJRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F2N3O2/c1-34-27-25(29)23(17-12-14-18(28)15-13-17)24-21(33)16-22(30-19-8-4-2-5-9-19)32(26(24)31-27)20-10-6-3-7-11-20/h2-16,30H,1H3.
What are the key properties of 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one?
2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 455.46 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-fluoro-5-(4-fluorophenyl)-7-methoxy-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 10115161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).