13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one

C17H14N2O4S — CID 59256653

IUPAC13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
SMILESCS(=O)(=O)c1ccc2c(=O)n3c(c(O)c2n1)-c1ccccc1CC3
InChIInChI=1S/C17H14N2O4S/c1-24(22,23)13-7-6-12-14(18-13)16(20)15-11-5-3-2-4-10(11)8-9-19(15)17(12)21/h2-7,20H,8-9H2,1H3
InChIKeySEGKLDSLCYGUDA-UHFFFAOYSA-N
MW342.38 g/mol
LogP1.73
Rot. Bonds1

About 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one

13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one (PubChem CID 59256653) has the molecular formula C17H14N2O4S and a molecular weight of 342.38 g/mol. Its IUPAC name is 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one.

Molecular Properties

Compound Name13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
PubChem CID59256653
Molecular FormulaC17H14N2O4S
Molecular Weight342.38 g/mol
Exact Mass342.07
IUPAC Name13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one
SMILESCS(=O)(=O)c1ccc2c(=O)n3c(c(O)c2n1)-c1ccccc1CC3
InChIInChI=1S/C17H14N2O4S/c1-24(22,23)13-7-6-12-14(18-13)16(20)15-11-5-3-2-4-10(11)8-9-19(15)17(12)21/h2-7,20H,8-9H2,1H3
InChIKeySEGKLDSLCYGUDA-UHFFFAOYSA-N
XLogP1.73
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The IUPAC name of 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one (CID 59256653) is 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one.
What is the SMILES notation for 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The canonical SMILES for 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one is CS(=O)(=O)c1ccc2c(=O)n3c(c(O)c2n1)-c1ccccc1CC3.
What is the InChIKey of 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
The InChIKey is SEGKLDSLCYGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S/c1-24(22,23)13-7-6-12-14(18-13)16(20)15-11-5-3-2-4-10(11)8-9-19(15)17(12)21/h2-7,20H,8-9H2,1H3.
What are the key properties of 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one?
13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one has a molecular weight of 342.38 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-hydroxy-11-methylsulfonyl-5,6-dihydroisoquinolino[2,1-g][1,6]naphthyridin-8-one is sourced from PubChem (CID 59256653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).