1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

C26H24N2O2 — CID 15988488

IUPAC1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C26H24N2O2/c1-16-6-10-20(11-7-16)24(29)23-15-28(14-21-13-17(2)5-8-18(21)3)26-22(25(23)30)12-9-19(4)27-26/h5-13,15H,14H2,1-4H3
InChIKeyXLBMJJDZGVWJKT-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.91
Rot. Bonds4

About 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one

1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (PubChem CID 15988488) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
PubChem CID15988488
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one
SMILESCc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C26H24N2O2/c1-16-6-10-20(11-7-16)24(29)23-15-28(14-21-13-17(2)5-8-18(21)3)26-22(25(23)30)12-9-19(4)27-26/h5-13,15H,14H2,1-4H3
InChIKeyXLBMJJDZGVWJKT-UHFFFAOYSA-N
XLogP4.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one (CID 15988488) is 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is Cc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
The InChIKey is XLBMJJDZGVWJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-16-6-10-20(11-7-16)24(29)23-15-28(14-21-13-17(2)5-8-18(21)3)26-22(25(23)30)12-9-19(4)27-26/h5-13,15H,14H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one?
1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one has a molecular weight of 396.49 g/mol, XLogP of 4.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-7-methyl-3-(4-methylbenzoyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 15988488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).