8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one

C19H14Cl2N2O — CID 13280955

IUPAC8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one
SMILESCN1CC2=C(C1=O)c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C19H14Cl2N2O/c1-23-10-11-9-22-18(14-4-2-3-5-16(14)21)15-8-12(20)6-7-13(15)17(11)19(23)24/h2-8H,9-10H2,1H3
InChIKeyJONOAOROHBMHNI-UHFFFAOYSA-N
MW357.24 g/mol
LogP4.07
Rot. Bonds1

About 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one

8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one (PubChem CID 13280955) has the molecular formula C19H14Cl2N2O and a molecular weight of 357.24 g/mol. Its IUPAC name is 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one.

Molecular Properties

Compound Name8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one
PubChem CID13280955
Molecular FormulaC19H14Cl2N2O
Molecular Weight357.24 g/mol
Exact Mass356.05
IUPAC Name8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one
SMILESCN1CC2=C(C1=O)c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2
InChIInChI=1S/C19H14Cl2N2O/c1-23-10-11-9-22-18(14-4-2-3-5-16(14)21)15-8-12(20)6-7-13(15)17(11)19(23)24/h2-8H,9-10H2,1H3
InChIKeyJONOAOROHBMHNI-UHFFFAOYSA-N
XLogP4.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.24
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-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

[8-chloro-6-(2-chlorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[3,4-d][2]benzazepin-3-yl] benzoate
CID 13280959
8-chloro-6-(2-chlorophenyl)-3-methyl-3a,4-dihydro-2H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-one;hydrate
CID 173450126
7-chloro-5-(2-chlorophenyl)-2-methylsulfanyl-3H-1,4-benzodiazepine
CID 12947075
7-chloro-5-(2-chlorophenyl)-2-(2-piperidin-1-ylethylsulfanyl)-3H-1,4-benzodiazepine
CID 12947043
methyl 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate
CID 15079782
7-chloro-5-(2-chlorophenyl)-1-pyrrolidin-3-yl-3H-1,4-benzodiazepin-2-one
CID 13336292
N'-[7-chloro-5-(2-chlorophenyl)-3H-1,4-benzodiazepin-2-yl]acetohydrazide;hydrate
CID 134106760
9-chloro-7-(2-chlorophenyl)-1,5-dihydro-[1,2,4]triazino[4,3-a][1,4]benzodiazepine
CID 54574633
2,2,2-trichloro-1-[8-chloro-6-(2-fluorophenyl)-1-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-3-yl]ethanone
CID 150317135
[7-chloro-5-(2-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl] 3-acetamidobutanoate
CID 70449511
acetic acid;[8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
CID 70359440
ethyl 9-chloro-7-(2-chlorophenyl)-3-oxo-5H-pyrimido[1,2-a][1,4]benzodiazepine-1-carboxylate
CID 15079786

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one?
The IUPAC name of 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one (CID 13280955) is 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one.
What is the SMILES notation for 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one?
The canonical SMILES for 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one is CN1CC2=C(C1=O)c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2.
What is the InChIKey of 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one?
The InChIKey is JONOAOROHBMHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O/c1-23-10-11-9-22-18(14-4-2-3-5-16(14)21)15-8-12(20)6-7-13(15)17(11)19(23)24/h2-8H,9-10H2,1H3.
What are the key properties of 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one?
8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one has a molecular weight of 357.24 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(2-chlorophenyl)-2-methyl-3,4-dihydropyrrolo[3,4-d][2]benzazepin-1-one is sourced from PubChem (CID 13280955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).