11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one

C22H19NO2 — CID 14203514

IUPAC11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one
SMILESCN1C(=O)c2ccccc2C(O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO2/c1-23-20-14-8-7-13-19(20)22(25,15-16-9-3-2-4-10-16)18-12-6-5-11-17(18)21(23)24/h2-14,25H,15H2,1H3
InChIKeyMAAQGDLUGNFTQS-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.76
Rot. Bonds2

About 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one

11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one (PubChem CID 14203514) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one
PubChem CID14203514
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one
SMILESCN1C(=O)c2ccccc2C(O)(Cc2ccccc2)c2ccccc21
InChIInChI=1S/C22H19NO2/c1-23-20-14-8-7-13-19(20)22(25,15-16-9-3-2-4-10-16)18-12-6-5-11-17(18)21(23)24/h2-14,25H,15H2,1H3
InChIKeyMAAQGDLUGNFTQS-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one?
The IUPAC name of 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one (CID 14203514) is 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one.
What is the SMILES notation for 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one?
The canonical SMILES for 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one is CN1C(=O)c2ccccc2C(O)(Cc2ccccc2)c2ccccc21.
What is the InChIKey of 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one?
The InChIKey is MAAQGDLUGNFTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-23-20-14-8-7-13-19(20)22(25,15-16-9-3-2-4-10-16)18-12-6-5-11-17(18)21(23)24/h2-14,25H,15H2,1H3.
What are the key properties of 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one?
11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one has a molecular weight of 329.40 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-benzyl-11-hydroxy-5-methylbenzo[c][1]benzazepin-6-one is sourced from PubChem (CID 14203514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).