6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one

C22H18N2O5S — CID 19689634

IUPAC6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one
SMILESCOc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ncccc3c2=O)cc1OC
InChIInChI=1S/C22H18N2O5S/c1-28-20-11-10-16(13-21(20)29-2)30(26,27)24-19(15-7-4-3-5-8-15)14-18-17(22(24)25)9-6-12-23-18/h3-14H,1-2H3
InChIKeyFXDQCZPSLLGLDF-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.32
Rot. Bonds5

About 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one

6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one (PubChem CID 19689634) has the molecular formula C22H18N2O5S and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one
PubChem CID19689634
Molecular FormulaC22H18N2O5S
Molecular Weight422.46 g/mol
Exact Mass422.09
IUPAC Name6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one
SMILESCOc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ncccc3c2=O)cc1OC
InChIInChI=1S/C22H18N2O5S/c1-28-20-11-10-16(13-21(20)29-2)30(26,27)24-19(15-7-4-3-5-8-15)14-18-17(22(24)25)9-6-12-23-18/h3-14H,1-2H3
InChIKeyFXDQCZPSLLGLDF-UHFFFAOYSA-N
XLogP3.32
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one (CID 19689634) is 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one is COc1ccc(S(=O)(=O)n2c(-c3ccccc3)cc3ncccc3c2=O)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one?
The InChIKey is FXDQCZPSLLGLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O5S/c1-28-20-11-10-16(13-21(20)29-2)30(26,27)24-19(15-7-4-3-5-8-15)14-18-17(22(24)25)9-6-12-23-18/h3-14H,1-2H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one?
6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one has a molecular weight of 422.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)sulfonyl-7-phenyl-1,6-naphthyridin-5-one is sourced from PubChem (CID 19689634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).