2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

C18H26N2O2 — CID 4877956

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCc3ccccc3C2)CC(C)O1
InChIInChI=1S/C18H26N2O2/c1-13-10-20(11-14(2)22-13)18(21)15(3)19-9-8-16-6-4-5-7-17(16)12-19/h4-7,13-15H,8-12H2,1-3H3
InChIKeyWHAKKPAKTZULNF-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.07
Rot. Bonds2

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (PubChem CID 4877956) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
PubChem CID4877956
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)N2CCc3ccccc3C2)CC(C)O1
InChIInChI=1S/C18H26N2O2/c1-13-10-20(11-14(2)22-13)18(21)15(3)19-9-8-16-6-4-5-7-17(16)12-19/h4-7,13-15H,8-12H2,1-3H3
InChIKeyWHAKKPAKTZULNF-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one (CID 4877956) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)N2CCc3ccccc3C2)CC(C)O1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
The InChIKey is WHAKKPAKTZULNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-10-20(11-14(2)22-13)18(21)15(3)19-9-8-16-6-4-5-7-17(16)12-19/h4-7,13-15H,8-12H2,1-3H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2,6-dimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 4877956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).