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

C26H24N2O3 — CID 50759431

IUPAC1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-16-5-6-17(2)20(13-16)14-28-15-23(24(29)19-8-10-21(31-4)11-9-19)25(30)22-12-7-18(3)27-26(22)28/h5-13,15H,14H2,1-4H3
InChIKeyISNNRDNHWNHGLD-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.61
Rot. Bonds5

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

1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one (PubChem CID 50759431) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
PubChem CID50759431
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one
SMILESCOc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C26H24N2O3/c1-16-5-6-17(2)20(13-16)14-28-15-23(24(29)19-8-10-21(31-4)11-9-19)25(30)22-12-7-18(3)27-26(22)28/h5-13,15H,14H2,1-4H3
InChIKeyISNNRDNHWNHGLD-UHFFFAOYSA-N
XLogP4.61
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(2,5-dimethylphenyl)methyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
CID 20940935
3-benzoyl-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759361
3-(4-fluorobenzoyl)-1-[(3-methoxyphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759428
N-(2,6-dimethylphenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929570
N-(2,5-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929530
7-methyl-3-(4-methylbenzoyl)-1-pentyl-1,8-naphthyridin-4-one
CID 22424301
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461
2-[3-(4-bromobenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 20929787
N-(3,4-dimethylphenyl)-2-[7-methyl-3-(4-methylbenzoyl)-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929548
N-(3-chlorophenyl)-2-[3-(4-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929576
2-[3-(3-methoxybenzoyl)-7-methyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20929843
3-(2,4-dimethylbenzoyl)-1-[(4-ethenylphenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759384

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one (CID 50759431) is 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one is COc1ccc(C(=O)c2cn(Cc3cc(C)ccc3C)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
The InChIKey is ISNNRDNHWNHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-16-5-6-17(2)20(13-16)14-28-15-23(24(29)19-8-10-21(31-4)11-9-19)25(30)22-12-7-18(3)27-26(22)28/h5-13,15H,14H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one?
1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one has a molecular weight of 412.49 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-3-(4-methoxybenzoyl)-7-methyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 50759431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).