5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine

C22H23N3O2 — CID 68506660

IUPAC5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCOc1ccccc1OC1CCN(C)Cc2cc(-c3cccnn3)ccc21
InChIInChI=1S/C22H23N3O2/c1-25-13-11-20(27-22-8-4-3-7-21(22)26-2)18-10-9-16(14-17(18)15-25)19-6-5-12-23-24-19/h3-10,12,14,20H,11,13,15H2,1-2H3
InChIKeyCIRJXUZSNIUARA-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.11
Rot. Bonds4

About 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine

5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine (PubChem CID 68506660) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine.

Molecular Properties

Compound Name5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
PubChem CID68506660
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
SMILESCOc1ccccc1OC1CCN(C)Cc2cc(-c3cccnn3)ccc21
InChIInChI=1S/C22H23N3O2/c1-25-13-11-20(27-22-8-4-3-7-21(22)26-2)18-10-9-16(14-17(18)15-25)19-6-5-12-23-24-19/h3-10,12,14,20H,11,13,15H2,1-2H3
InChIKeyCIRJXUZSNIUARA-UHFFFAOYSA-N
XLogP4.11
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine 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

2-methyl-5-phenoxy-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 25156308
5-(1-fluoronaphthalen-2-yl)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine
CID 66964285
5-(2-fluorophenoxy)-2-methyl-8-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 25156855
2-methyl-4-(1-methylindol-2-yl)-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68997686
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)quinoline
CID 68994315
2-methyl-5-phenoxy-8-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 25156583
4-(5-fluoro-1-benzofuran-2-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68998758
5-(4-methoxyphenyl)-2-methyl-8-(6-methylpyridazin-3-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 66964582
4-(1-benzofuran-5-yl)-2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinoline
CID 68995649
6-(2-methyl-7-pyridazin-3-yl-3,4-dihydro-1H-isoquinolin-4-yl)naphthalene-2-carbonitrile
CID 68998513
5-(2-fluorophenoxy)-2-methyl-8-(2H-pyridin-1-yl)-1,3,4,5-tetrahydro-2-benzazepine
CID 68501977
2-[5-(3,5-difluorophenoxy)-2-methyl-1,3,4,5-tetrahydro-2-benzazepin-8-yl]benzonitrile
CID 68502466

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
The IUPAC name of 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine (CID 68506660) is 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine.
What is the SMILES notation for 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
The canonical SMILES for 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine is COc1ccccc1OC1CCN(C)Cc2cc(-c3cccnn3)ccc21.
What is the InChIKey of 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
The InChIKey is CIRJXUZSNIUARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-25-13-11-20(27-22-8-4-3-7-21(22)26-2)18-10-9-16(14-17(18)15-25)19-6-5-12-23-24-19/h3-10,12,14,20H,11,13,15H2,1-2H3.
What are the key properties of 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine?
5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine has a molecular weight of 361.45 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenoxy)-2-methyl-8-pyridazin-3-yl-1,3,4,5-tetrahydro-2-benzazepine is sourced from PubChem (CID 68506660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).