4-methylbenzo[g]isoquinoline-5,10-dione

C14H9NO2 — CID 73350960

IUPAC4-methylbenzo[g]isoquinoline-5,10-dione
SMILESCc1cncc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2/c1-8-6-15-7-11-12(8)14(17)10-5-3-2-4-9(10)13(11)16/h2-7H,1H3
InChIKeyQDQFTJXBAXXTQJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.17
Rot. Bonds

About 4-methylbenzo[g]isoquinoline-5,10-dione

4-methylbenzo[g]isoquinoline-5,10-dione (PubChem CID 73350960) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-methylbenzo[g]isoquinoline-5,10-dione.

Molecular Properties

Compound Name4-methylbenzo[g]isoquinoline-5,10-dione
PubChem CID73350960
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name4-methylbenzo[g]isoquinoline-5,10-dione
SMILESCc1cncc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C14H9NO2/c1-8-6-15-7-11-12(8)14(17)10-5-3-2-4-9(10)13(11)16/h2-7H,1H3
InChIKeyQDQFTJXBAXXTQJ-UHFFFAOYSA-N
XLogP2.17
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-methylbenzo[g]isoquinoline-5,10-dione?
The IUPAC name of 4-methylbenzo[g]isoquinoline-5,10-dione (CID 73350960) is 4-methylbenzo[g]isoquinoline-5,10-dione.
What is the SMILES notation for 4-methylbenzo[g]isoquinoline-5,10-dione?
The canonical SMILES for 4-methylbenzo[g]isoquinoline-5,10-dione is Cc1cncc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 4-methylbenzo[g]isoquinoline-5,10-dione?
The InChIKey is QDQFTJXBAXXTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c1-8-6-15-7-11-12(8)14(17)10-5-3-2-4-9(10)13(11)16/h2-7H,1H3.
What are the key properties of 4-methylbenzo[g]isoquinoline-5,10-dione?
4-methylbenzo[g]isoquinoline-5,10-dione has a molecular weight of 223.23 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[g]isoquinoline-5,10-dione is sourced from PubChem (CID 73350960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).