5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one

C14H16N2O3 — CID 110696722

IUPAC5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
SMILESO=C1COCC(C(=O)N2CCc3ccccc3C2)N1
InChIInChI=1S/C14H16N2O3/c17-13-9-19-8-12(15-13)14(18)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,12H,5-9H2,(H,15,17)
InChIKeyLEJSWQILROQBAY-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.09
Rot. Bonds1

About 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one

5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one (PubChem CID 110696722) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
PubChem CID110696722
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
SMILESO=C1COCC(C(=O)N2CCc3ccccc3C2)N1
InChIInChI=1S/C14H16N2O3/c17-13-9-19-8-12(15-13)14(18)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,12H,5-9H2,(H,15,17)
InChIKeyLEJSWQILROQBAY-UHFFFAOYSA-N
XLogP0.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
3,4-dihydro-1H-isoquinolin-2-yl(morpholin-3-yl)methanone;hydrochloride
CID 119669619
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiomorpholin-3-one
CID 110695458
1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
CID 134800268
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 91919657
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 82584257

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one (CID 110696722) is 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one is O=C1COCC(C(=O)N2CCc3ccccc3C2)N1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one?
The InChIKey is LEJSWQILROQBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-9-19-8-12(15-13)14(18)16-6-5-10-3-1-2-4-11(10)7-16/h1-4,12H,5-9H2,(H,15,17).
What are the key properties of 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one?
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one has a molecular weight of 260.29 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one is sourced from PubChem (CID 110696722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).