2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one

C21H16FN3O — CID 20790420

IUPAC2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(Nc3ccccc3F)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H16FN3O/c1-14-11-12-16-19(26)13-20(24-18-10-6-5-9-17(18)22)25(21(16)23-14)15-7-3-2-4-8-15/h2-13,24H,1H3
InChIKeyANBRPVHYDHVLPI-UHFFFAOYSA-N
MW345.38 g/mol
LogP4.58
Rot. Bonds3

About 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one

2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (PubChem CID 20790420) has the molecular formula C21H16FN3O and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
PubChem CID20790420
Molecular FormulaC21H16FN3O
Molecular Weight345.38 g/mol
Exact Mass345.13
IUPAC Name2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one
SMILESCc1ccc2c(=O)cc(Nc3ccccc3F)n(-c3ccccc3)c2n1
InChIInChI=1S/C21H16FN3O/c1-14-11-12-16-19(26)13-20(24-18-10-6-5-9-17(18)22)25(21(16)23-14)15-7-3-2-4-8-15/h2-13,24H,1H3
InChIKeyANBRPVHYDHVLPI-UHFFFAOYSA-N
XLogP4.58
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The IUPAC name of 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one (CID 20790420) is 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is Cc1ccc2c(=O)cc(Nc3ccccc3F)n(-c3ccccc3)c2n1.
What is the InChIKey of 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
The InChIKey is ANBRPVHYDHVLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O/c1-14-11-12-16-19(26)13-20(24-18-10-6-5-9-17(18)22)25(21(16)23-14)15-7-3-2-4-8-15/h2-13,24H,1H3.
What are the key properties of 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one?
2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one has a molecular weight of 345.38 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-7-methyl-1-phenyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).