4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride

C18H20ClFN2O — CID 120857722

IUPAC4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride
SMILESCl.Fc1cccc2c1CN(Cc1cccc3c1NCC3)CCO2
InChIInChI=1S/C18H19FN2O.ClH/c19-16-5-2-6-17-15(16)12-21(9-10-22-17)11-14-4-1-3-13-7-8-20-18(13)14;/h1-6,20H,7-12H2;1H
InChIKeyFJYLAYPZAYVXEZ-UHFFFAOYSA-N
MW334.82 g/mol
LogP3.61
Rot. Bonds2

About 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride

4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride (PubChem CID 120857722) has the molecular formula C18H20ClFN2O and a molecular weight of 334.82 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride
PubChem CID120857722
Molecular FormulaC18H20ClFN2O
Molecular Weight334.82 g/mol
Exact Mass334.12
IUPAC Name4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride
SMILESCl.Fc1cccc2c1CN(Cc1cccc3c1NCC3)CCO2
InChIInChI=1S/C18H19FN2O.ClH/c19-16-5-2-6-17-15(16)12-21(9-10-22-17)11-14-4-1-3-13-7-8-20-18(13)14;/h1-6,20H,7-12H2;1H
InChIKeyFJYLAYPZAYVXEZ-UHFFFAOYSA-N
XLogP3.61
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.82
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride 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-(2,3-dihydro-1H-indol-7-ylmethyl)-5-oxa-8-azaspiro[2.6]nonane
CID 120855876
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,2-dimethylmorpholine
CID 113277982
4-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)morpholine
CID 28775243
2-(2,3-dihydro-1H-indol-7-ylmethyl)-3,4-dihydro-1H-isoquinoline-5-carbonitrile
CID 167862713
2-(2,3-dihydro-1H-indol-7-ylmethyl)-7-fluoro-6-methoxy-3,4-dihydro-1H-isoquinoline
CID 120855599
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-(5-azaspiro[2.5]octan-5-ylmethyl)-2,3-dihydro-1H-indole;hydrochloride
CID 120856919
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 114327059
3-cyclopropyl-1-(2,3-dihydro-1H-indol-7-ylmethyl)imidazolidin-4-one;hydrochloride
CID 120857366

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride (CID 120857722) is 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride is Cl.Fc1cccc2c1CN(Cc1cccc3c1NCC3)CCO2.
What is the InChIKey of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride?
The InChIKey is FJYLAYPZAYVXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O.ClH/c19-16-5-2-6-17-15(16)12-21(9-10-22-17)11-14-4-1-3-13-7-8-20-18(13)14;/h1-6,20H,7-12H2;1H.
What are the key properties of 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride?
4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride has a molecular weight of 334.82 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indol-7-ylmethyl)-6-fluoro-3,5-dihydro-2H-1,4-benzoxazepine;hydrochloride is sourced from PubChem (CID 120857722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).