4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one

C21H19NO — CID 11066571

IUPAC4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one
SMILESCN1CC2=C(C=C(c3ccccc3)C1=O)c1ccccc1CC2
InChIInChI=1S/C21H19NO/c1-22-14-17-12-11-16-9-5-6-10-18(16)19(17)13-20(21(22)23)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3
InChIKeyGUYAPXNMCMFGJN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.94
Rot. Bonds1

About 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one

4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one (PubChem CID 11066571) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one.

Molecular Properties

Compound Name4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one
PubChem CID11066571
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one
SMILESCN1CC2=C(C=C(c3ccccc3)C1=O)c1ccccc1CC2
InChIInChI=1S/C21H19NO/c1-22-14-17-12-11-16-9-5-6-10-18(16)19(17)13-20(21(22)23)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3
InChIKeyGUYAPXNMCMFGJN-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
1-methyl-3,4,5,6-tetrahydrobenzo[h]quinolin-2-one
CID 24974677
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
1-bromo-3-phenylpyrrole-2,5-dione
CID 18979321
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
CID 167712207
CID 167712207
9,10-dihydrophenanthrene;ethane
CID 143759681
5-[hydroxy(phenyl)methylidene]-3-methyl-1,2-dihydro-3-benzazepin-4-one
CID 54713335
7-methyl-7,10-diazatetracyclo[8.7.1.05,18.012,17]octadeca-1(18),2,4,12,14,16-hexaene-6,9-dione
CID 101264986
(5Z)-5-[hydroxy(phenyl)methylidene]-3-methyl-1,2-dihydro-3-benzazepin-4-one
CID 54723290
4-methyl-2-phenyl-8,9-dihydro-3H-1,4-benzodiazepin-5-one
CID 58983139

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one?
The IUPAC name of 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one (CID 11066571) is 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one.
What is the SMILES notation for 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one?
The canonical SMILES for 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one is CN1CC2=C(C=C(c3ccccc3)C1=O)c1ccccc1CC2.
What is the InChIKey of 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one?
The InChIKey is GUYAPXNMCMFGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-22-14-17-12-11-16-9-5-6-10-18(16)19(17)13-20(21(22)23)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3.
What are the key properties of 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one?
4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one has a molecular weight of 301.39 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-6,7-dihydro-5H-benzo[g][2]benzazepin-3-one is sourced from PubChem (CID 11066571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).