9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one

C18H15BrN2O — CID 5331118

IUPAC9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESCCn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2
InChIInChI=1S/C18H15BrN2O/c1-2-21-16-8-7-11(19)9-13(16)14-10-17(22)20-15-6-4-3-5-12(15)18(14)21/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyHEAJGTIEQPBAMJ-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.59
Rot. Bonds1

About 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one

9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 5331118) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID5331118
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESCCn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2
InChIInChI=1S/C18H15BrN2O/c1-2-21-16-8-7-11(19)9-13(16)14-10-17(22)20-15-6-4-3-5-12(15)18(14)21/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyHEAJGTIEQPBAMJ-UHFFFAOYSA-N
XLogP4.59
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 5331118) is 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is CCn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2.
What is the InChIKey of 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is HEAJGTIEQPBAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c1-2-21-16-8-7-11(19)9-13(16)14-10-17(22)20-15-6-4-3-5-12(15)18(14)21/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 355.24 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-12-ethyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 5331118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).