[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

C18H24N2O3 — CID 125151046

IUPAC[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2CN1)N1CCO[C@H]([C@H]2CCCO2)C1
InChIInChI=1S/C18H24N2O3/c21-18(15-10-13-4-1-2-5-14(13)11-19-15)20-7-9-23-17(12-20)16-6-3-8-22-16/h1-2,4-5,15-17,19H,3,6-12H2/t15-,16+,17-/m0/s1
InChIKeyHMWOLPAECFTPDW-BBWFWOEESA-N
MW316.40 g/mol
LogP1.11
Rot. Bonds2

About [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone

[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (PubChem CID 125151046) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
PubChem CID125151046
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
SMILESO=C([C@@H]1Cc2ccccc2CN1)N1CCO[C@H]([C@H]2CCCO2)C1
InChIInChI=1S/C18H24N2O3/c21-18(15-10-13-4-1-2-5-14(13)11-19-15)20-7-9-23-17(12-20)16-6-3-8-22-16/h1-2,4-5,15-17,19H,3,6-12H2/t15-,16+,17-/m0/s1
InChIKeyHMWOLPAECFTPDW-BBWFWOEESA-N
XLogP1.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone with MolForge

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Related Compounds

[2-(hydroxymethyl)morpholin-4-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 81203025
[2-(hydroxymethyl)morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896735
(2-methyl-1,4-oxazepan-4-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 104896483
azocan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 43211891
[2-(oxolan-2-yl)morpholin-4-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119345000
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 81422561
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;hydrochloride
CID 119261624
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61165664
[3-(dimethylamino)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 63166926
(3-hydroxy-4-methylpiperidin-1-yl)-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 102957156
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The IUPAC name of [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone (CID 125151046) is [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The canonical SMILES for [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone is O=C([C@@H]1Cc2ccccc2CN1)N1CCO[C@H]([C@H]2CCCO2)C1.
What is the InChIKey of [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
The InChIKey is HMWOLPAECFTPDW-BBWFWOEESA-N. The full InChI is InChI=1S/C18H24N2O3/c21-18(15-10-13-4-1-2-5-14(13)11-19-15)20-7-9-23-17(12-20)16-6-3-8-22-16/h1-2,4-5,15-17,19H,3,6-12H2/t15-,16+,17-/m0/s1.
What are the key properties of [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone?
[(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone has a molecular weight of 316.40 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(2R)-oxolan-2-yl]morpholin-4-yl]-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone is sourced from PubChem (CID 125151046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).