(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone

C16H18N2O2 — CID 71874429

IUPAC(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone
SMILESCC1COCC(C)N1C(=O)c1nccc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-11-9-20-10-12(2)18(11)16(19)15-14-6-4-3-5-13(14)7-8-17-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDZNUSCDCOUPZSP-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.48
Rot. Bonds1

About (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone

(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone (PubChem CID 71874429) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone
PubChem CID71874429
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone
SMILESCC1COCC(C)N1C(=O)c1nccc2ccccc12
InChIInChI=1S/C16H18N2O2/c1-11-9-20-10-12(2)18(11)16(19)15-14-6-4-3-5-13(14)7-8-17-15/h3-8,11-12H,9-10H2,1-2H3
InChIKeyDZNUSCDCOUPZSP-UHFFFAOYSA-N
XLogP2.48
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(bromomethyl)-5-methylmorpholin-4-yl]-isoquinolin-1-ylmethanone
CID 81214033
(3,4-dihydroxypyrrolidin-1-yl)-isoquinolin-1-ylmethanone
CID 106671738
1-[(6S)-1-(isoquinoline-1-carbonyl)-6-methylpiperidin-3-yl]ethanone
CID 134465241
2-[1-(isoquinoline-1-carbonyl)azetidin-3-yl]propanoic acid
CID 116680853
ethane;1-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]ethanone
CID 145399194
(2S,3aR,7aR)-1-(isoquinoline-1-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148944
isoquinolin-1-yl-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186611
isoquinolin-1-yl-[3-(methylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119413779
[4-(dimethylamino)-2-pyridinyl]-[(3S,5R)-3,5-dimethylmorpholin-4-yl]methanone
CID 99604346
isoquinolin-1-yl(1,3-oxazolidin-2-yl)methanone
CID 175012058
(2,6-dimethylpiperidin-1-yl)-[5-[1-(isoquinoline-1-carbonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 110236660
isoquinoline-1-carboxamide;hydrochloride
CID 57458906

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone?
The IUPAC name of (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone (CID 71874429) is (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone.
What is the SMILES notation for (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone?
The canonical SMILES for (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone is CC1COCC(C)N1C(=O)c1nccc2ccccc12.
What is the InChIKey of (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone?
The InChIKey is DZNUSCDCOUPZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-9-20-10-12(2)18(11)16(19)15-14-6-4-3-5-13(14)7-8-17-15/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone?
(3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone has a molecular weight of 270.33 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylmorpholin-4-yl)-isoquinolin-1-ylmethanone is sourced from PubChem (CID 71874429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).