1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one

C25H19FN2O2 — CID 50759470

IUPAC1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESC=Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C25H19FN2O2/c1-3-17-5-7-18(8-6-17)14-28-15-22(23(29)19-9-11-20(26)12-10-19)24(30)21-13-4-16(2)27-25(21)28/h3-13,15H,1,14H2,2H3
InChIKeyUTAMINIEUMOVDJ-UHFFFAOYSA-N
MW398.44 g/mol
LogP4.77
Rot. Bonds5

About 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one

1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759470) has the molecular formula C25H19FN2O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759470
Molecular FormulaC25H19FN2O2
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESC=Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C25H19FN2O2/c1-3-17-5-7-18(8-6-17)14-28-15-22(23(29)19-9-11-20(26)12-10-19)24(30)21-13-4-16(2)27-25(21)28/h3-13,15H,1,14H2,2H3
InChIKeyUTAMINIEUMOVDJ-UHFFFAOYSA-N
XLogP4.77
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one (CID 50759470) is 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one is C=Cc1ccc(Cn2cc(C(=O)c3ccc(F)cc3)c(=O)c3ccc(C)nc32)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is UTAMINIEUMOVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN2O2/c1-3-17-5-7-18(8-6-17)14-28-15-22(23(29)19-9-11-20(26)12-10-19)24(30)21-13-4-16(2)27-25(21)28/h3-13,15H,1,14H2,2H3.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one?
1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 398.44 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).