2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one

C17H24N2O2 — CID 115773457

IUPAC2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESCC(C)N1CCOC(CN2CCc3ccccc3C2=O)C1
InChIInChI=1S/C17H24N2O2/c1-13(2)18-9-10-21-15(11-18)12-19-8-7-14-5-3-4-6-16(14)17(19)20/h3-6,13,15H,7-12H2,1-2H3
InChIKeyZLUBIHQTZPFEHL-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.79
Rot. Bonds3

About 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one

2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 115773457) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
PubChem CID115773457
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one
SMILESCC(C)N1CCOC(CN2CCc3ccccc3C2=O)C1
InChIInChI=1S/C17H24N2O2/c1-13(2)18-9-10-21-15(11-18)12-19-8-7-14-5-3-4-6-16(14)17(19)20/h3-6,13,15H,7-12H2,1-2H3
InChIKeyZLUBIHQTZPFEHL-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one (CID 115773457) is 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one is CC(C)N1CCOC(CN2CCc3ccccc3C2=O)C1.
What is the InChIKey of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
The InChIKey is ZLUBIHQTZPFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(2)18-9-10-21-15(11-18)12-19-8-7-14-5-3-4-6-16(14)17(19)20/h3-6,13,15H,7-12H2,1-2H3.
What are the key properties of 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one?
2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylmorpholin-2-yl)methyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 115773457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).