3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione

C17H10BrNO2 — CID 71600569

IUPAC3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione
SMILESCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C17H10BrNO2/c1-19-15-11-4-2-3-5-12(11)16(20)14(15)10-7-6-9(18)8-13(10)17(19)21/h2-8H,1H3
InChIKeyOXNMWWBLBSNMCG-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.51
Rot. Bonds

About 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione

3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 71600569) has the molecular formula C17H10BrNO2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione
PubChem CID71600569
Molecular FormulaC17H10BrNO2
Molecular Weight340.18 g/mol
Exact Mass338.99
IUPAC Name3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione
SMILESCn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C17H10BrNO2/c1-19-15-11-4-2-3-5-12(11)16(20)14(15)10-7-6-9(18)8-13(10)17(19)21/h2-8H,1H3
InChIKeyOXNMWWBLBSNMCG-UHFFFAOYSA-N
XLogP3.51
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione (CID 71600569) is 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione is Cn1c2c(c3ccc(Br)cc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is OXNMWWBLBSNMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO2/c1-19-15-11-4-2-3-5-12(11)16(20)14(15)10-7-6-9(18)8-13(10)17(19)21/h2-8H,1H3.
What are the key properties of 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione?
3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 340.18 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-methylindeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 71600569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).