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

C18H15BrN2O2 — CID 5331110

IUPAC9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c(n(CCO)c3ccc(Br)cc23)-c2ccccc2N1
InChIInChI=1S/C18H15BrN2O2/c19-11-5-6-16-13(9-11)14-10-17(23)20-15-4-2-1-3-12(15)18(14)21(16)7-8-22/h1-6,9,22H,7-8,10H2,(H,20,23)
InChIKeyGWFCNMFOAORLDH-UHFFFAOYSA-N
MW371.23 g/mol
LogP3.56
Rot. Bonds2

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

9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 5331110) has the molecular formula C18H15BrN2O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID5331110
Molecular FormulaC18H15BrN2O2
Molecular Weight371.23 g/mol
Exact Mass370.03
IUPAC Name9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c(n(CCO)c3ccc(Br)cc23)-c2ccccc2N1
InChIInChI=1S/C18H15BrN2O2/c19-11-5-6-16-13(9-11)14-10-17(23)20-15-4-2-1-3-12(15)18(14)21(16)7-8-22/h1-6,9,22H,7-8,10H2,(H,20,23)
InChIKeyGWFCNMFOAORLDH-UHFFFAOYSA-N
XLogP3.56
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 9-bromo-12-(2-hydroxyethyl)-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-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 5331110) is 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c(n(CCO)c3ccc(Br)cc23)-c2ccccc2N1.
What is the InChIKey of 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is GWFCNMFOAORLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O2/c19-11-5-6-16-13(9-11)14-10-17(23)20-15-4-2-1-3-12(15)18(14)21(16)7-8-22/h1-6,9,22H,7-8,10H2,(H,20,23).
What are the key properties of 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one?
9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 371.23 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-12-(2-hydroxyethyl)-5,7-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 5331110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).