7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione

C15H11NO5 — CID 132967559

IUPAC7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
SMILESCOc1c(O)cc(O)c2c1C(=O)c1cc(C)ncc1C2=O
InChIInChI=1S/C15H11NO5/c1-6-3-7-8(5-16-6)14(20)11-9(17)4-10(18)15(21-2)12(11)13(7)19/h3-5,17-18H,1-2H3
InChIKeyOHNMVGHHHMYTJO-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.59
Rot. Bonds1

About 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione

7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione (PubChem CID 132967559) has the molecular formula C15H11NO5 and a molecular weight of 285.25 g/mol. Its IUPAC name is 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
PubChem CID132967559
Molecular FormulaC15H11NO5
Molecular Weight285.25 g/mol
Exact Mass285.06
IUPAC Name7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione
SMILESCOc1c(O)cc(O)c2c1C(=O)c1cc(C)ncc1C2=O
InChIInChI=1S/C15H11NO5/c1-6-3-7-8(5-16-6)14(20)11-9(17)4-10(18)15(21-2)12(11)13(7)19/h3-5,17-18H,1-2H3
InChIKeyOHNMVGHHHMYTJO-UHFFFAOYSA-N
XLogP1.59
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
The IUPAC name of 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione (CID 132967559) is 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione is COc1c(O)cc(O)c2c1C(=O)c1cc(C)ncc1C2=O.
What is the InChIKey of 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
The InChIKey is OHNMVGHHHMYTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO5/c1-6-3-7-8(5-16-6)14(20)11-9(17)4-10(18)15(21-2)12(11)13(7)19/h3-5,17-18H,1-2H3.
What are the key properties of 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione?
7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione has a molecular weight of 285.25 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-6-methoxy-3-methylbenzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 132967559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).