2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione

C18H14N2O3 — CID 11098803

IUPAC2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)CCCc2ccccc21
InChIInChI=1S/C18H14N2O3/c21-16-11-5-7-12-6-1-4-10-15(12)19(16)20-17(22)13-8-2-3-9-14(13)18(20)23/h1-4,6,8-10H,5,7,11H2
InChIKeyXRBGHMAMVVBSAS-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.57
Rot. Bonds1

About 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione (PubChem CID 11098803) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
PubChem CID11098803
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1C(=O)CCCc2ccccc21
InChIInChI=1S/C18H14N2O3/c21-16-11-5-7-12-6-1-4-10-15(12)19(16)20-17(22)13-8-2-3-9-14(13)18(20)23/h1-4,6,8-10H,5,7,11H2
InChIKeyXRBGHMAMVVBSAS-UHFFFAOYSA-N
XLogP2.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione 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-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
1-piperidin-1-yl-3,4-dihydroquinolin-2-one
CID 19094699
2-(5-fluoro-2-oxo-3,4-dihydroquinolin-1-yl)isoindole-1,3-dione
CID 11758694
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
1-trimethylsilyl-4,5-dihydro-3H-1-benzazepin-2-one
CID 134893395
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
2-[(3,4-dihydro-2H-quinolin-1-ylamino)methyl]isoindole-1,3-dione
CID 679881
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662
2-(2,3-dihydroindol-1-ylmethyl)isoindole-1,3-dione
CID 21204263
1-[(2S)-2-aminopropyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 103934798
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050
(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one
CID 113217969

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione (CID 11098803) is 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N1C(=O)CCCc2ccccc21.
What is the InChIKey of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione?
The InChIKey is XRBGHMAMVVBSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-11-5-7-12-6-1-4-10-15(12)19(16)20-17(22)13-8-2-3-9-14(13)18(20)23/h1-4,6,8-10H,5,7,11H2.
What are the key properties of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione?
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione has a molecular weight of 306.32 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 11098803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).