7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one

C23H20N2O3S — CID 20791125

IUPAC7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one
SMILESCc1cc2c(cn1)c(=O)cc(S(=O)(=O)C(C)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H20N2O3S/c1-16-13-21-20(15-24-16)22(26)14-23(25(21)19-11-7-4-8-12-19)29(27,28)17(2)18-9-5-3-6-10-18/h3-15,17H,1-2H3
InChIKeyFJHVHJRZQULUQB-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.23
Rot. Bonds4

About 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one

7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one (PubChem CID 20791125) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one
PubChem CID20791125
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one
SMILESCc1cc2c(cn1)c(=O)cc(S(=O)(=O)C(C)c1ccccc1)n2-c1ccccc1
InChIInChI=1S/C23H20N2O3S/c1-16-13-21-20(15-24-16)22(26)14-23(25(21)19-11-7-4-8-12-19)29(27,28)17(2)18-9-5-3-6-10-18/h3-15,17H,1-2H3
InChIKeyFJHVHJRZQULUQB-UHFFFAOYSA-N
XLogP4.23
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one?
The IUPAC name of 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one (CID 20791125) is 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one.
What is the SMILES notation for 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one?
The canonical SMILES for 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one is Cc1cc2c(cn1)c(=O)cc(S(=O)(=O)C(C)c1ccccc1)n2-c1ccccc1.
What is the InChIKey of 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one?
The InChIKey is FJHVHJRZQULUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-16-13-21-20(15-24-16)22(26)14-23(25(21)19-11-7-4-8-12-19)29(27,28)17(2)18-9-5-3-6-10-18/h3-15,17H,1-2H3.
What are the key properties of 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one?
7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one has a molecular weight of 404.49 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-phenyl-2-(1-phenylethylsulfonyl)-1,6-naphthyridin-4-one is sourced from PubChem (CID 20791125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).