8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

C16H10BrNO — CID 164960052

IUPAC8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1ccc(Br)cc1-2
InChIInChI=1S/C16H10BrNO/c17-10-6-5-9-7-14-11-3-1-2-4-12(11)16(19)18-15(14)13(9)8-10/h1-6,8H,7H2,(H,18,19)
InChIKeyBSGQHHZHZGZNDM-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.86
Rot. Bonds

About 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one

8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 164960052) has the molecular formula C16H10BrNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID164960052
Molecular FormulaC16H10BrNO
Molecular Weight312.17 g/mol
Exact Mass310.99
IUPAC Name8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3ccccc13)Cc1ccc(Br)cc1-2
InChIInChI=1S/C16H10BrNO/c17-10-6-5-9-7-14-11-3-1-2-4-12(11)16(19)18-15(14)13(9)8-10/h1-6,8H,7H2,(H,18,19)
InChIKeyBSGQHHZHZGZNDM-UHFFFAOYSA-N
XLogP3.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 164960052) is 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3ccccc13)Cc1ccc(Br)cc1-2.
What is the InChIKey of 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is BSGQHHZHZGZNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO/c17-10-6-5-9-7-14-11-3-1-2-4-12(11)16(19)18-15(14)13(9)8-10/h1-6,8H,7H2,(H,18,19).
What are the key properties of 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one has a molecular weight of 312.17 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 164960052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).