7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione

C15H11NO4 — CID 132967558

IUPAC7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
SMILESCOc1cc(O)cc2c1C(=O)c1cnc(C)cc1C2=O
InChIInChI=1S/C15H11NO4/c1-7-3-9-11(6-16-7)15(19)13-10(14(9)18)4-8(17)5-12(13)20-2/h3-6,17H,1-2H3
InChIKeyTZNGZPSBZUFCQP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.88
Rot. Bonds1

About 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione

7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione (PubChem CID 132967558) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
PubChem CID132967558
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
SMILESCOc1cc(O)cc2c1C(=O)c1cnc(C)cc1C2=O
InChIInChI=1S/C15H11NO4/c1-7-3-9-11(6-16-7)15(19)13-10(14(9)18)4-8(17)5-12(13)20-2/h3-6,17H,1-2H3
InChIKeyTZNGZPSBZUFCQP-UHFFFAOYSA-N
XLogP1.88
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
The IUPAC name of 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione (CID 132967558) is 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione is COc1cc(O)cc2c1C(=O)c1cnc(C)cc1C2=O.
What is the InChIKey of 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
The InChIKey is TZNGZPSBZUFCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-7-3-9-11(6-16-7)15(19)13-10(14(9)18)4-8(17)5-12(13)20-2/h3-6,17H,1-2H3.
What are the key properties of 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione has a molecular weight of 269.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-9-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 132967558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).