5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one

C20H16N2O — CID 69033866

IUPAC5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one
SMILESNN1C(=O)C(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H16N2O/c21-22-18-13-7-6-11-16(18)15-10-4-5-12-17(15)19(20(22)23)14-8-2-1-3-9-14/h1-13,19H,21H2
InChIKeyHLHDQGLPPXAGMF-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.71
Rot. Bonds1

About 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one

5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one (PubChem CID 69033866) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one
PubChem CID69033866
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one
SMILESNN1C(=O)C(c2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C20H16N2O/c21-22-18-13-7-6-11-16(18)15-10-4-5-12-17(15)19(20(22)23)14-8-2-1-3-9-14/h1-13,19H,21H2
InChIKeyHLHDQGLPPXAGMF-UHFFFAOYSA-N
XLogP3.71
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one?
The IUPAC name of 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one (CID 69033866) is 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one.
What is the SMILES notation for 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one?
The canonical SMILES for 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one is NN1C(=O)C(c2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one?
The InChIKey is HLHDQGLPPXAGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c21-22-18-13-7-6-11-16(18)15-10-4-5-12-17(15)19(20(22)23)14-8-2-1-3-9-14/h1-13,19H,21H2.
What are the key properties of 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one?
5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one has a molecular weight of 300.36 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-phenyl-7H-benzo[d][1]benzazepin-6-one is sourced from PubChem (CID 69033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).