3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

C27H24N2O2 — CID 50759384

IUPAC3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESC=Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C27H24N2O2/c1-5-20-8-10-21(11-9-20)15-29-16-24(25(30)22-12-6-17(2)14-18(22)3)26(31)23-13-7-19(4)28-27(23)29/h5-14,16H,1,15H2,2-4H3
InChIKeyXAMKCDJICRMYLC-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.24
Rot. Bonds5

About 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one

3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759384) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759384
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
SMILESC=Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1
InChIInChI=1S/C27H24N2O2/c1-5-20-8-10-21(11-9-20)15-29-16-24(25(30)22-12-6-17(2)14-18(22)3)26(31)23-13-7-19(4)28-27(23)29/h5-14,16H,1,15H2,2-4H3
InChIKeyXAMKCDJICRMYLC-UHFFFAOYSA-N
XLogP5.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one (CID 50759384) is 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is C=Cc1ccc(Cn2cc(C(=O)c3ccc(C)cc3C)c(=O)c3ccc(C)nc32)cc1.
What is the InChIKey of 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is XAMKCDJICRMYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-5-20-8-10-21(11-9-20)15-29-16-24(25(30)22-12-6-17(2)14-18(22)3)26(31)23-13-7-19(4)28-27(23)29/h5-14,16H,1,15H2,2-4H3.
What are the key properties of 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one?
3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 408.50 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).