2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one

C16H22N2O2 — CID 162628333

IUPAC2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESO=C1CCc2ccccc2CN1CCN1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16-6-5-14-3-1-2-4-15(14)13-18(16)8-7-17-9-11-20-12-10-17/h1-4H,5-13H2
InChIKeyWZHPLHHGDKMVSV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one

2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one (PubChem CID 162628333) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
PubChem CID162628333
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one
SMILESO=C1CCc2ccccc2CN1CCN1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16-6-5-14-3-1-2-4-15(14)13-18(16)8-7-17-9-11-20-12-10-17/h1-4H,5-13H2
InChIKeyWZHPLHHGDKMVSV-UHFFFAOYSA-N
XLogP1.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyethyl)-4,5-dihydro-1H-2-benzazepin-3-one
CID 162631433
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
2-[2-(2-methoxyethoxy)ethyl]-4,5-dihydro-1H-2-benzazepin-3-one
CID 162637387
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 113182980
N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48642627
4-[[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]methyl]morpholine
CID 13041711
19-cyclohexyl-9-(2-morpholin-4-ylethyl)-9,12-diazatetracyclo[10.7.0.02,7.013,18]nonadeca-1(19),2,4,6,13,15,17-heptaen-10-one
CID 91278892
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 109015672
1-(2-morpholin-4-ylethyl)-7-(3-phenylphenyl)-3,4-dihydroquinolin-2-one
CID 175346344
4-methyl-1-(2-morpholin-4-ylethyl)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)pyridin-2-one
CID 172668924
2-(2-morpholin-4-ylethyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 142740743
2-(2-morpholin-4-ylethyl)-6,11-dihydro-5H-[1,2,4]triazolo[4,3-c][3]benzazepin-3-one
CID 21484998

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
The IUPAC name of 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one (CID 162628333) is 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one is O=C1CCc2ccccc2CN1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
The InChIKey is WZHPLHHGDKMVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16-6-5-14-3-1-2-4-15(14)13-18(16)8-7-17-9-11-20-12-10-17/h1-4H,5-13H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one?
2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one has a molecular weight of 274.36 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)-4,5-dihydro-1H-2-benzazepin-3-one is sourced from PubChem (CID 162628333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).