2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride

C22H27ClN2O2 — CID 6603470

IUPAC2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C22H26N2O2.ClH/c25-22(17-23-12-14-26-15-13-23)24-11-10-19-8-4-5-9-20(19)21(16-24)18-6-2-1-3-7-18;/h1-9,21H,10-17H2;1H
InChIKeyMACGBNSUTZPKBX-UHFFFAOYSA-N
MW386.92 g/mol
LogP2.96
Rot. Bonds3

About 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride

2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride (PubChem CID 6603470) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride
PubChem CID6603470
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1
InChIInChI=1S/C22H26N2O2.ClH/c25-22(17-23-12-14-26-15-13-23)24-11-10-19-8-4-5-9-20(19)21(16-24)18-6-2-1-3-7-18;/h1-9,21H,10-17H2;1H
InChIKeyMACGBNSUTZPKBX-UHFFFAOYSA-N
XLogP2.96
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride with MolForge

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Related Compounds

Pyridine, 1,2,3,6-tetrahydro-1-(morpholinoacetyl)-4-phenyl-2,2,6,6-tetramethyl-
CID 104592
2-(4-Benzhydrylpiperazin-1-yl)-1-morpholin-4-ylethanone
CID 644491
3-(4-morpholinylacetyl)-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 647770
1-(3,3-Diphenylpropyl)-4-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 16658886
1-(3,3-Diphenyl-propyl)-4-(2-morpholin-4-yl-ethyl)-piperazine-2,5-dione
CID 44399845
2-Morpholin-4-yl-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 45803768
1-[4-(2-Methoxyethyl)piperazin-1-yl]-2,3-diphenylpropan-1-one
CID 71453413
4-({3-[2-(2-Methylphenyl)ethyl]-1-piperidinyl}acetyl)morpholine
CID 56897703
3-[2-(3,3-Diphenylpiperidin-1-YL)-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72841230
4-[(3,3-Diphenylpiperidin-1-yl)acetyl]morpholine
CID 72910828
2-[4-(2-Fluorophenyl)piperidin-1-YL]-1-(morpholin-4-YL)ethanone
CID 16674277
2-[4-(4-Fluorophenyl)piperidin-1-YL]-1-(morpholin-4-YL)ethanone
CID 16674775

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride?
The IUPAC name of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride (CID 6603470) is 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride?
The canonical SMILES for 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride is Cl.O=C(CN1CCOCC1)N1CCc2ccccc2C(c2ccccc2)C1.
What is the InChIKey of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride?
The InChIKey is MACGBNSUTZPKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c25-22(17-23-12-14-26-15-13-23)24-11-10-19-8-4-5-9-20(19)21(16-24)18-6-2-1-3-7-18;/h1-9,21H,10-17H2;1H.
What are the key properties of 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride?
2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-(5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethanone;hydrochloride is sourced from PubChem (CID 6603470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).