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

C16H11BrN2O — CID 3820

IUPAC9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1
InChIInChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
InChIKeyQQUXFYAWXPMDOE-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.09
Rot. Bonds

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

9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (PubChem CID 3820) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
PubChem CID3820
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC Name9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1
InChIInChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
InChIKeyQQUXFYAWXPMDOE-UHFFFAOYSA-N
XLogP4.09
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one (CID 3820) is 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1.
What is the InChIKey of 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
The InChIKey is QQUXFYAWXPMDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20).
What are the key properties of 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one?
9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one has a molecular weight of 327.18 g/mol, XLogP of 4.09, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 3820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).