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

C25H20N2O2 — CID 50759404

IUPAC3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESC=Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C25H20N2O2/c1-3-18-10-12-19(13-11-18)15-27-16-22(23(28)20-7-5-4-6-8-20)24(29)21-14-9-17(2)26-25(21)27/h3-14,16H,1,15H2,2H3
InChIKeyXUPWCVMMEDTLPV-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.63
Rot. Bonds5

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

3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759404) has the molecular formula C25H20N2O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759404
Molecular FormulaC25H20N2O2
Molecular Weight380.45 g/mol
Exact Mass380.15
IUPAC Name3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESC=Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C25H20N2O2/c1-3-18-10-12-19(13-11-18)15-27-16-22(23(28)20-7-5-4-6-8-20)24(29)21-14-9-17(2)26-25(21)27/h3-14,16H,1,15H2,2H3
InChIKeyXUPWCVMMEDTLPV-UHFFFAOYSA-N
XLogP4.63
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (CID 50759404) is 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is C=Cc1ccc(Cn2cc(C(=O)c3ccccc3)c(=O)c3ccc(C)nc32)cc1.
What is the InChIKey of 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is XUPWCVMMEDTLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O2/c1-3-18-10-12-19(13-11-18)15-27-16-22(23(28)20-7-5-4-6-8-20)24(29)21-14-9-17(2)26-25(21)27/h3-14,16H,1,15H2,2H3.
What are the key properties of 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 380.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).