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

C16H10BrNO — CID 22290970

IUPAC2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3cc(Br)ccc13)Cc1ccccc1-2
InChIInChI=1S/C16H10BrNO/c17-10-5-6-12-13(8-10)14-7-9-3-1-2-4-11(9)15(14)18-16(12)19/h1-6,8H,7H2,(H,18,19)
InChIKeyHHDDYHTTXMXWTA-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.86
Rot. Bonds

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

2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (PubChem CID 22290970) has the molecular formula C16H10BrNO and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
PubChem CID22290970
Molecular FormulaC16H10BrNO
Molecular Weight312.17 g/mol
Exact Mass310.99
IUPAC Name2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c(c3cc(Br)ccc13)Cc1ccccc1-2
InChIInChI=1S/C16H10BrNO/c17-10-5-6-12-13(8-10)14-7-9-3-1-2-4-11(9)15(14)18-16(12)19/h1-6,8H,7H2,(H,18,19)
InChIKeyHHDDYHTTXMXWTA-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 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The IUPAC name of 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one (CID 22290970) is 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one.
What is the SMILES notation for 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The canonical SMILES for 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is O=c1[nH]c2c(c3cc(Br)ccc13)Cc1ccccc1-2.
What is the InChIKey of 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
The InChIKey is HHDDYHTTXMXWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrNO/c17-10-5-6-12-13(8-10)14-7-9-3-1-2-4-11(9)15(14)18-16(12)19/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one?
2-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 2-bromo-6,11-dihydroindeno[1,2-c]isoquinolin-5-one is sourced from PubChem (CID 22290970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).