5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one

C23H16Cl2N2O — CID 44818608

IUPAC5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H16Cl2N2O/c24-18-10-9-14(11-19(18)25)13-27-21-8-4-2-6-16(21)23-17(12-22(27)28)15-5-1-3-7-20(15)26-23/h1-11,26H,12-13H2
InChIKeyROYHYYNQKVIOOR-UHFFFAOYSA-N
MW407.30 g/mol
LogP6.23
Rot. Bonds2

About 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one

5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one (PubChem CID 44818608) has the molecular formula C23H16Cl2N2O and a molecular weight of 407.30 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
PubChem CID44818608
Molecular FormulaC23H16Cl2N2O
Molecular Weight407.30 g/mol
Exact Mass406.06
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one
SMILESO=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H16Cl2N2O/c24-18-10-9-14(11-19(18)25)13-27-21-8-4-2-6-16(21)23-17(12-22(27)28)15-5-1-3-7-20(15)26-23/h1-11,26H,12-13H2
InChIKeyROYHYYNQKVIOOR-UHFFFAOYSA-N
XLogP6.23
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.30
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][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 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one (CID 44818608) is 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one is O=C1Cc2c([nH]c3ccccc23)-c2ccccc2N1Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
The InChIKey is ROYHYYNQKVIOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O/c24-18-10-9-14(11-19(18)25)13-27-21-8-4-2-6-16(21)23-17(12-22(27)28)15-5-1-3-7-20(15)26-23/h1-11,26H,12-13H2.
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one?
5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one has a molecular weight of 407.30 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-7,12-dihydroindolo[3,2-d][1]benzazepin-6-one is sourced from PubChem (CID 44818608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).