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

C17H13BrN2O — CID 5331111

IUPAC9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESCn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2
InChIInChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
InChIKeyCYWSKAGHMPTBMS-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.10
Rot. Bonds

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

9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 5331111) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID5331111
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESCn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2
InChIInChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21)
InChIKeyCYWSKAGHMPTBMS-UHFFFAOYSA-N
XLogP4.10
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 5331111) is 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is Cn1c2c(c3cc(Br)ccc31)CC(=O)Nc1ccccc1-2.
What is the InChIKey of 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is CYWSKAGHMPTBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-20-15-7-6-10(18)8-12(15)13-9-16(21)19-14-5-3-2-4-11(14)17(13)20/h2-8H,9H2,1H3,(H,19,21).
What are the key properties of 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 341.21 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-12-methyl-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 5331111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).