9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

C17H13BrN2O2 — CID 10904406

IUPAC9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESCOc1ccc2c(c1)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2
InChIInChI=1S/C17H13BrN2O2/c1-22-10-3-5-15-13(7-10)17-12(8-16(21)19-15)11-6-9(18)2-4-14(11)20-17/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyBDGMLSKKNBJWEY-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.10
Rot. Bonds1

About 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 10904406) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID10904406
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESCOc1ccc2c(c1)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2
InChIInChI=1S/C17H13BrN2O2/c1-22-10-3-5-15-13(7-10)17-12(8-16(21)19-15)11-6-9(18)2-4-14(11)20-17/h2-7,20H,8H2,1H3,(H,19,21)
InChIKeyBDGMLSKKNBJWEY-UHFFFAOYSA-N
XLogP4.10
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[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-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 10904406) is 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is COc1ccc2c(c1)-c1[nH]c3ccc(Br)cc3c1CC(=O)N2.
What is the InChIKey of 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is BDGMLSKKNBJWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-22-10-3-5-15-13(7-10)17-12(8-16(21)19-15)11-6-9(18)2-4-14(11)20-17/h2-7,20H,8H2,1H3,(H,19,21).
What are the key properties of 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 357.21 g/mol, XLogP of 4.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-2-methoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 10904406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).