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

C17H13BrN2O — CID 5331121

IUPAC9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESCN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccccc21
InChIInChI=1S/C17H13BrN2O/c1-20-15-5-3-2-4-11(15)17-13(9-16(20)21)12-8-10(18)6-7-14(12)19-17/h2-8,19H,9H2,1H3
InChIKeyZNJYKYATCKBLHO-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.12
Rot. Bonds

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

9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 5331121) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID5331121
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESCN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccccc21
InChIInChI=1S/C17H13BrN2O/c1-20-15-5-3-2-4-11(15)17-13(9-16(20)21)12-8-10(18)6-7-14(12)19-17/h2-8,19H,9H2,1H3
InChIKeyZNJYKYATCKBLHO-UHFFFAOYSA-N
XLogP4.12
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Kenpaullone
CID 3820
2-(4-Fluorophenyl)-N,N-dihexyl-1H-indole-3-acetamide
CID 132496
7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one
CID 369401
2-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 369402
10-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 383787
11-Bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 384146
9-Methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 385069
9-Fluoro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one
CID 385070
2,9-Dibromopaullone
CID 395804
7,12-Dihydro-9-(trifluoromethyl)indolo[3,2-d][1]benzazepine-6(5H)-one
CID 396079
2-Bromo-9-(trifluoromethyl)-7,12-dihydroindolo[3,2-d][1]benzazepine-6(5H)-one
CID 396571
11-Methylpaullone
CID 397718

Frequently Asked Questions

What is the IUPAC name of 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 5331121) is 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one is CN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccccc21.
What is the InChIKey of 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is ZNJYKYATCKBLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-20-15-5-3-2-4-11(15)17-13(9-16(20)21)12-8-10(18)6-7-14(12)19-17/h2-8,19H,9H2,1H3.
What are the key properties of 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 341.21 g/mol, XLogP of 4.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-5-methyl-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 5331121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).