3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one

C16H15FN2O2 — CID 170383773

IUPAC3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCOc1cc2c(cc1F)-c1cc(C)c(N)cc1NC(=O)C2
InChIInChI=1S/C16H15FN2O2/c1-8-3-11-10-6-12(17)15(21-2)4-9(10)5-16(20)19-14(11)7-13(8)18/h3-4,6-7H,5,18H2,1-2H3,(H,19,20)
InChIKeyAZAWIEYHLCNLAO-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.89
Rot. Bonds1

About 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one

3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one (PubChem CID 170383773) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one.

Molecular Properties

Compound Name3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
PubChem CID170383773
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one
SMILESCOc1cc2c(cc1F)-c1cc(C)c(N)cc1NC(=O)C2
InChIInChI=1S/C16H15FN2O2/c1-8-3-11-10-6-12(17)15(21-2)4-9(10)5-16(20)19-14(11)7-13(8)18/h3-4,6-7H,5,18H2,1-2H3,(H,19,20)
InChIKeyAZAWIEYHLCNLAO-UHFFFAOYSA-N
XLogP2.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[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 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The IUPAC name of 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one (CID 170383773) is 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one.
What is the SMILES notation for 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The canonical SMILES for 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one is COc1cc2c(cc1F)-c1cc(C)c(N)cc1NC(=O)C2.
What is the InChIKey of 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
The InChIKey is AZAWIEYHLCNLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-8-3-11-10-6-12(17)15(21-2)4-9(10)5-16(20)19-14(11)7-13(8)18/h3-4,6-7H,5,18H2,1-2H3,(H,19,20).
What are the key properties of 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one?
3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one has a molecular weight of 286.31 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-10-fluoro-9-methoxy-2-methyl-5,7-dihydrobenzo[d][1]benzazepin-6-one is sourced from PubChem (CID 170383773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).