7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

C9H9ClN2O2 — CID 82230635

IUPAC7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESNc1cc(Cl)c2c(c1)NC(=O)CCO2
InChIInChI=1S/C9H9ClN2O2/c10-6-3-5(11)4-7-9(6)14-2-1-8(13)12-7/h3-4H,1-2,11H2,(H,12,13)
InChIKeyVZLGCCQBKSVODI-UHFFFAOYSA-N
MW212.64 g/mol
LogP1.64
Rot. Bonds

About 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one

7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (PubChem CID 82230635) has the molecular formula C9H9ClN2O2 and a molecular weight of 212.64 g/mol. Its IUPAC name is 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.

Molecular Properties

Compound Name7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
PubChem CID82230635
Molecular FormulaC9H9ClN2O2
Molecular Weight212.64 g/mol
Exact Mass212.04
IUPAC Name7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
SMILESNc1cc(Cl)c2c(c1)NC(=O)CCO2
InChIInChI=1S/C9H9ClN2O2/c10-6-3-5(11)4-7-9(6)14-2-1-8(13)12-7/h3-4H,1-2,11H2,(H,12,13)
InChIKeyVZLGCCQBKSVODI-UHFFFAOYSA-N
XLogP1.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.64
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-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

7-amino-9-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230446
7-acetyl-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231827
6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 50878739
6-amino-8-bromo-4H-1,4-benzoxazin-3-one
CID 82231984
8-chloro-6-methyl-4H-1,4-benzoxazin-3-one
CID 84667909
8-chloro-7-fluoro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82230687
8-bromo-6,9-dichloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82234328
6-amino-8-chloro-2-propan-2-yl-4H-1,4-benzoxazin-3-one
CID 82231889
9-bromo-7-ethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82233522
9-amino-7-chloro-6,8-dimethyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82231876
7-hydroxy-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 82490641
1,4,6,7-tetrahydropyrazolo[5,4-b][1,4]oxazepin-5-one
CID 145225037

Frequently Asked Questions

What is the IUPAC name of 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The IUPAC name of 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one (CID 82230635) is 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one.
What is the SMILES notation for 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The canonical SMILES for 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is Nc1cc(Cl)c2c(c1)NC(=O)CCO2.
What is the InChIKey of 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
The InChIKey is VZLGCCQBKSVODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O2/c10-6-3-5(11)4-7-9(6)14-2-1-8(13)12-7/h3-4H,1-2,11H2,(H,12,13).
What are the key properties of 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one?
7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one has a molecular weight of 212.64 g/mol, XLogP of 1.64, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-9-chloro-3,5-dihydro-2H-1,5-benzoxazepin-4-one is sourced from PubChem (CID 82230635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).