N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine

C16H12BrN3O — CID 5331114

IUPACN-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine
SMILESONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C16H12BrN3O/c17-9-5-6-14-11(7-9)12-8-15(20-21)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19,21H,8H2,(H,18,20)
InChIKeyAGVIFWRZNWSNSR-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.16
Rot. Bonds

About N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine

N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine (PubChem CID 5331114) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine.

Molecular Properties

Compound NameN-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine
PubChem CID5331114
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC NameN-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine
SMILESONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1
InChIInChI=1S/C16H12BrN3O/c17-9-5-6-14-11(7-9)12-8-15(20-21)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19,21H,8H2,(H,18,20)
InChIKeyAGVIFWRZNWSNSR-UHFFFAOYSA-N
XLogP4.16
TPSA60.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine?
The IUPAC name of N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine (CID 5331114) is N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine.
What is the SMILES notation for N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine?
The canonical SMILES for N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine is ONC1=Nc2ccccc2-c2[nH]c3ccc(Br)cc3c2C1.
What is the InChIKey of N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine?
The InChIKey is AGVIFWRZNWSNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c17-9-5-6-14-11(7-9)12-8-15(20-21)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19,21H,8H2,(H,18,20).
What are the key properties of N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine?
N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine has a molecular weight of 342.20 g/mol, XLogP of 4.16, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-bromo-7,12-dihydroindolo[3,2-d][1]benzazepin-6-yl)hydroxylamine is sourced from PubChem (CID 5331114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).