1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one

C24H22N2O4S — CID 20950265

IUPAC1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
SMILESCOc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C24H22N2O4S/c1-16-7-10-20(11-8-16)31(28,29)22-15-26(14-18-5-4-6-19(13-18)30-3)24-21(23(22)27)12-9-17(2)25-24/h4-13,15H,14H2,1-3H3
InChIKeyZGGOYHUIXOBIRJ-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.90
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one

1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one (PubChem CID 20950265) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
PubChem CID20950265
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
SMILESCOc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)c1
InChIInChI=1S/C24H22N2O4S/c1-16-7-10-20(11-8-16)31(28,29)22-15-26(14-18-5-4-6-19(13-18)30-3)24-21(23(22)27)12-9-17(2)25-24/h4-13,15H,14H2,1-3H3
InChIKeyZGGOYHUIXOBIRJ-UHFFFAOYSA-N
XLogP3.90
TPSA78.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 2140958
3-(benzenesulfonyl)-1-[(3-chlorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50793152
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonylquinolin-4-one
CID 20874594
1-[(4-ethenylphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
CID 20950266
6-ethoxy-1-[(3-methoxyphenyl)methyl]-3-(4-methoxyphenyl)sulfonylquinolin-4-one
CID 18560118
N-benzyl-2-[7-methyl-3-(4-methylphenyl)sulfonyl-4-oxo-1,8-naphthyridin-1-yl]acetamide
CID 20950215
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
2-[3-(4-ethylphenyl)sulfonyl-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50793069
6-ethoxy-3-(4-fluorophenyl)sulfonyl-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 2137277
3-(4-chlorophenyl)sulfonyl-6-ethoxy-1-[(3-methoxyphenyl)methyl]quinolin-4-one
CID 20874595
3-(4-ethoxyphenyl)sulfonyl-6-methoxy-1-[(4-methylphenyl)methyl]quinolin-4-one
CID 2135099

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one (CID 20950265) is 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one is COc1cccc(Cn2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)c3ccc(C)nc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
The InChIKey is ZGGOYHUIXOBIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-7-10-20(11-8-16)31(28,29)22-15-26(14-18-5-4-6-19(13-18)30-3)24-21(23(22)27)12-9-17(2)25-24/h4-13,15H,14H2,1-3H3.
What are the key properties of 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one has a molecular weight of 434.52 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20950265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).