5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine

C20H18FN3O — CID 66963705

IUPAC5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1ccccc1C1CCNCc2cc(Oc3cccnn3)ccc21
InChIInChI=1S/C20H18FN3O/c21-19-5-2-1-4-18(19)17-9-11-22-13-14-12-15(7-8-16(14)17)25-20-6-3-10-23-24-20/h1-8,10,12,17,22H,9,11,13H2
InChIKeyQFRZPRVZOBHVHB-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.03
Rot. Bonds3

About 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine

5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine (PubChem CID 66963705) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
PubChem CID66963705
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine
SMILESFc1ccccc1C1CCNCc2cc(Oc3cccnn3)ccc21
InChIInChI=1S/C20H18FN3O/c21-19-5-2-1-4-18(19)17-9-11-22-13-14-12-15(7-8-16(14)17)25-20-6-3-10-23-24-20/h1-8,10,12,17,22H,9,11,13H2
InChIKeyQFRZPRVZOBHVHB-UHFFFAOYSA-N
XLogP4.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine with MolForge

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Related Compounds

6-fluoro-5-(2-fluorophenyl)-2-methyl-8-pyridazin-3-yloxy-1,3,4,5-tetrahydro-2-benzazepine
CID 66964945
5-(2,6-difluorophenyl)-7-fluoro-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965286
9-fluoro-5-(2-fluorophenyl)-8-(6-methylpyridazin-3-yl)oxy-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964898
3-naphthalen-2-yloxypyridazine
CID 91262966
5-(2,3-difluorophenyl)-8-(6-methylpyridazin-3-yl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66964918
(2R)-2-(2,3-difluoro-5-pyridazin-3-yloxyphenyl)morpholine
CID 171653313
(2R)-2-(2-methyl-5-pyridazin-3-yloxyphenyl)morpholine
CID 171653174
3-(4-chlorophenoxy)pyridazine
CID 54052757
(2R,6R)-2-methyl-6-(3-pyridazin-3-yloxyphenyl)morpholine
CID 171653267
9-fluoro-5-naphthalen-2-yl-8-pyridazin-3-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 66965159
(2S)-2-(2-fluoro-5-pyridin-2-yloxyphenyl)morpholine
CID 174290590
(5S)-5-(3-pyridazin-3-yloxyphenyl)-4-oxa-7-azaspiro[2.5]octane
CID 171653291

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The IUPAC name of 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine (CID 66963705) is 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine.
What is the SMILES notation for 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The canonical SMILES for 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine is Fc1ccccc1C1CCNCc2cc(Oc3cccnn3)ccc21.
What is the InChIKey of 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
The InChIKey is QFRZPRVZOBHVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-19-5-2-1-4-18(19)17-9-11-22-13-14-12-15(7-8-16(14)17)25-20-6-3-10-23-24-20/h1-8,10,12,17,22H,9,11,13H2.
What are the key properties of 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine?
5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine has a molecular weight of 335.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-8-pyridazin-3-yloxy-2,3,4,5-tetrahydro-1H-2-benzazepine is sourced from PubChem (CID 66963705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).