3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one

C20H23NO — CID 59197960

IUPAC3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one
SMILESCCc1ccc2c(c1)N(C)C(=O)c1cc(C)ccc1C2CC
InChIInChI=1S/C20H23NO/c1-5-14-8-10-17-15(6-2)16-9-7-13(3)11-18(16)20(22)21(4)19(17)12-14/h7-12,15H,5-6H2,1-4H3
InChIKeyKWRYDWPNQJFOEL-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.69
Rot. Bonds2

About 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one

3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one (PubChem CID 59197960) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one.

Molecular Properties

Compound Name3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one
PubChem CID59197960
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one
SMILESCCc1ccc2c(c1)N(C)C(=O)c1cc(C)ccc1C2CC
InChIInChI=1S/C20H23NO/c1-5-14-8-10-17-15(6-2)16-9-7-13(3)11-18(16)20(22)21(4)19(17)12-14/h7-12,15H,5-6H2,1-4H3
InChIKeyKWRYDWPNQJFOEL-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,11-diethyl-5,8-dimethyl-11H-benzo[c][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 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one?
The IUPAC name of 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one (CID 59197960) is 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one.
What is the SMILES notation for 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one?
The canonical SMILES for 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one is CCc1ccc2c(c1)N(C)C(=O)c1cc(C)ccc1C2CC.
What is the InChIKey of 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one?
The InChIKey is KWRYDWPNQJFOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-5-14-8-10-17-15(6-2)16-9-7-13(3)11-18(16)20(22)21(4)19(17)12-14/h7-12,15H,5-6H2,1-4H3.
What are the key properties of 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one?
3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one has a molecular weight of 293.41 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,11-diethyl-5,8-dimethyl-11H-benzo[c][1]benzazepin-6-one is sourced from PubChem (CID 59197960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).