2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione

C16H8BrNO2 — CID 23529064

IUPAC2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2[nH]c(=O)c3ccc(Br)cc3c21
InChIInChI=1S/C16H8BrNO2/c17-8-5-6-11-12(7-8)13-14(18-16(11)20)9-3-1-2-4-10(9)15(13)19/h1-7H,(H,18,20)
InChIKeyGFGFIHUNCUSHPK-UHFFFAOYSA-N
MW326.15 g/mol
LogP3.50
Rot. Bonds

About 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione

2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione (PubChem CID 23529064) has the molecular formula C16H8BrNO2 and a molecular weight of 326.15 g/mol. Its IUPAC name is 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione.

Molecular Properties

Compound Name2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione
PubChem CID23529064
Molecular FormulaC16H8BrNO2
Molecular Weight326.15 g/mol
Exact Mass324.97
IUPAC Name2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione
SMILESO=C1c2ccccc2-c2[nH]c(=O)c3ccc(Br)cc3c21
InChIInChI=1S/C16H8BrNO2/c17-8-5-6-11-12(7-8)13-14(18-16(11)20)9-3-1-2-4-10(9)15(13)19/h1-7H,(H,18,20)
InChIKeyGFGFIHUNCUSHPK-UHFFFAOYSA-N
XLogP3.50
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione?
The IUPAC name of 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione (CID 23529064) is 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione.
What is the SMILES notation for 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione?
The canonical SMILES for 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione is O=C1c2ccccc2-c2[nH]c(=O)c3ccc(Br)cc3c21.
What is the InChIKey of 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione?
The InChIKey is GFGFIHUNCUSHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrNO2/c17-8-5-6-11-12(7-8)13-14(18-16(11)20)9-3-1-2-4-10(9)15(13)19/h1-7H,(H,18,20).
What are the key properties of 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione?
2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione has a molecular weight of 326.15 g/mol, XLogP of 3.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6H-indeno[1,2-c]isoquinoline-5,11-dione is sourced from PubChem (CID 23529064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).