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

C23H19FN2O3S — CID 20950262

IUPAC1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
SMILESCc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C23H19FN2O3S/c1-15-3-10-19(11-4-15)30(28,29)21-14-26(13-17-6-8-18(24)9-7-17)23-20(22(21)27)12-5-16(2)25-23/h3-12,14H,13H2,1-2H3
InChIKeyNPXJJEVWFJSGQG-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.03
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one (PubChem CID 20950262) has the molecular formula C23H19FN2O3S and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
PubChem CID20950262
Molecular FormulaC23H19FN2O3S
Molecular Weight422.48 g/mol
Exact Mass422.11
IUPAC Name1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one
SMILESCc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3nc(C)ccc3c2=O)cc1
InChIInChI=1S/C23H19FN2O3S/c1-15-3-10-19(11-4-15)30(28,29)21-14-26(13-17-6-8-18(24)9-7-17)23-20(22(21)27)12-5-16(2)25-23/h3-12,14H,13H2,1-2H3
InChIKeyNPXJJEVWFJSGQG-UHFFFAOYSA-N
XLogP4.03
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one (CID 20950262) is 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one is Cc1ccc(S(=O)(=O)c2cn(Cc3ccc(F)cc3)c3nc(C)ccc3c2=O)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
The InChIKey is NPXJJEVWFJSGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3S/c1-15-3-10-19(11-4-15)30(28,29)21-14-26(13-17-6-8-18(24)9-7-17)23-20(22(21)27)12-5-16(2)25-23/h3-12,14H,13H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one?
1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one has a molecular weight of 422.48 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-methyl-3-(4-methylphenyl)sulfonyl-1,8-naphthyridin-4-one is sourced from PubChem (CID 20950262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).