4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one

C16H22N2O3 — CID 76684827

IUPAC4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one
SMILESO=C1COCCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c19-15(11-18-7-8-21-12-16(18)20)10-17-6-5-13-3-1-2-4-14(13)9-17/h1-4,15,19H,5-12H2
InChIKeyUTXDCWFWCGERTA-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.26
Rot. Bonds4

About 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one

4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one (PubChem CID 76684827) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one.

Molecular Properties

Compound Name4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one
PubChem CID76684827
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one
SMILESO=C1COCCN1CC(O)CN1CCc2ccccc2C1
InChIInChI=1S/C16H22N2O3/c19-15(11-18-7-8-21-12-16(18)20)10-17-6-5-13-3-1-2-4-14(13)9-17/h1-4,15,19H,5-12H2
InChIKeyUTXDCWFWCGERTA-UHFFFAOYSA-N
XLogP0.26
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Hydroxy-1-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethan-1-one
CID 16769566
4-Benzyl-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562403
2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2-(2,6-dimethylmorpholino)-2-oxoethoxy)-4H-pyran-4-one
CID 18575719
2-cyclohexyloxy-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]acetamide
CID 90242258
2-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-5-(2-morpholino-2-oxoethoxy)-4H-pyran-4-one
CID 7292895
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]acetamide
CID 32718395
4-acetyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazin-2-one
CID 76684722
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-(oxan-4-yl)piperazin-2-one
CID 76684724
4-benzyl-1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]piperazin-2-one
CID 76684725
1-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidin-2-one
CID 90250372
1-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-4-phenylpiperidin-2-one
CID 90307294
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-N-methyl-3-phenylpropanamide
CID 90328725

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one?
The IUPAC name of 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one (CID 76684827) is 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one.
What is the SMILES notation for 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one?
The canonical SMILES for 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one is O=C1COCCN1CC(O)CN1CCc2ccccc2C1.
What is the InChIKey of 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one?
The InChIKey is UTXDCWFWCGERTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-15(11-18-7-8-21-12-16(18)20)10-17-6-5-13-3-1-2-4-14(13)9-17/h1-4,15,19H,5-12H2.
What are the key properties of 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one?
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one has a molecular weight of 290.36 g/mol, XLogP of 0.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]morpholin-3-one is sourced from PubChem (CID 76684827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).