3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one

C16H22N2O2 — CID 109015672

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-9-11-20-12-10-18)6-8-17-7-5-14-3-1-2-4-15(14)13-17/h1-4H,5-13H2
InChIKeyBQRZNCZTWSSHIV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.29
Rot. Bonds3

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one (PubChem CID 109015672) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
PubChem CID109015672
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCN1CCc2ccccc2C1)N1CCOCC1
InChIInChI=1S/C16H22N2O2/c19-16(18-9-11-20-12-10-18)6-8-17-7-5-14-3-1-2-4-15(14)13-17/h1-4H,5-13H2
InChIKeyBQRZNCZTWSSHIV-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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-morpholin-4-ylpropan-1-one
CID 110688426
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017206
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109024540
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 109017784
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 75488987
3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 75488986
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109024550
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(4-methylpiperazin-1-yl)propan-1-one
CID 110852332
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109024396

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one (CID 109015672) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one is O=C(CCN1CCc2ccccc2C1)N1CCOCC1.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
The InChIKey is BQRZNCZTWSSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-16(18-9-11-20-12-10-18)6-8-17-7-5-14-3-1-2-4-15(14)13-17/h1-4H,5-13H2.
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-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 3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 109015672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).