9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione

C15H11NO3 — CID 46830522

IUPAC9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione
SMILESCc1cc2c(c(C)n1)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C15H11NO3/c1-7-6-10-12(8(2)16-7)15(19)13-9(14(10)18)4-3-5-11(13)17/h3-6,17H,1-2H3
InChIKeyTXMYNMWCWKUYRD-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.18
Rot. Bonds

About 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione

9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione (PubChem CID 46830522) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione
PubChem CID46830522
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione
SMILESCc1cc2c(c(C)n1)C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C15H11NO3/c1-7-6-10-12(8(2)16-7)15(19)13-9(14(10)18)4-3-5-11(13)17/h3-6,17H,1-2H3
InChIKeyTXMYNMWCWKUYRD-UHFFFAOYSA-N
XLogP2.18
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione 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 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione?
The IUPAC name of 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione (CID 46830522) is 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione is Cc1cc2c(c(C)n1)C(=O)c1c(O)cccc1C2=O.
What is the InChIKey of 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione?
The InChIKey is TXMYNMWCWKUYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-7-6-10-12(8(2)16-7)15(19)13-9(14(10)18)4-3-5-11(13)17/h3-6,17H,1-2H3.
What are the key properties of 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione?
9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione has a molecular weight of 253.26 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-1,3-dimethylbenzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 46830522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).