7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one

C21H32N2O3 — CID 176746621

IUPAC7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one
SMILESCC(C)c1cc2c(cc1OCCN1CCOCC1)C(=O)N(C(C)C)CC2
InChIInChI=1S/C21H32N2O3/c1-15(2)18-13-17-5-6-23(16(3)4)21(24)19(17)14-20(18)26-12-9-22-7-10-25-11-8-22/h13-16H,5-12H2,1-4H3
InChIKeyKIYVHQDLPOPLJV-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.93
Rot. Bonds6

About 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one

7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one (PubChem CID 176746621) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one
PubChem CID176746621
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one
SMILESCC(C)c1cc2c(cc1OCCN1CCOCC1)C(=O)N(C(C)C)CC2
InChIInChI=1S/C21H32N2O3/c1-15(2)18-13-17-5-6-23(16(3)4)21(24)19(17)14-20(18)26-12-9-22-7-10-25-11-8-22/h13-16H,5-12H2,1-4H3
InChIKeyKIYVHQDLPOPLJV-UHFFFAOYSA-N
XLogP2.93
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one with MolForge

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Related Compounds

4-[2-(5-phenyl-2-propan-2-ylphenoxy)ethyl]morpholine
CID 146386321
9,10-dimethoxy-2-(2-morpholin-4-ylethoxy)-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
CID 666085
(1R)-1-[5-chloro-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 55189907
1-[2-(2-morpholin-4-ylethoxy)-5-nitrophenyl]ethanol
CID 116541854
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
4-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 3386987
1-[5-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43505269
4-[2-(2,6-dimethyl-4-propan-2-ylphenoxy)ethyl]morpholine
CID 20871910
N-ethyl-1-[4-methyl-2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 63640833
4-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]ethyl]morpholine
CID 69000749
4-ethoxy-5-(2-morpholin-4-ylethoxy)fluoren-9-one
CID 19594681
2-methyl-1-[2-(2-morpholin-4-ylethoxy)phenyl]propan-1-one
CID 118041363

Frequently Asked Questions

What is the IUPAC name of 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one (CID 176746621) is 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one is CC(C)c1cc2c(cc1OCCN1CCOCC1)C(=O)N(C(C)C)CC2.
What is the InChIKey of 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one?
The InChIKey is KIYVHQDLPOPLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-15(2)18-13-17-5-6-23(16(3)4)21(24)19(17)14-20(18)26-12-9-22-7-10-25-11-8-22/h13-16H,5-12H2,1-4H3.
What are the key properties of 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one?
7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one has a molecular weight of 360.50 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-morpholin-4-ylethoxy)-2,6-di(propan-2-yl)-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 176746621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).