7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine

C16H21N3O2 — CID 106539026

IUPAC7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3CN(C)CCO3)c2c1
InChIInChI=1S/C16H21N3O2/c1-19-7-8-21-14(11-19)10-18-16-15-9-13(20-2)4-3-12(15)5-6-17-16/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyGJKOOZVUIWPXPJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.99
Rot. Bonds4

About 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine

7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine (PubChem CID 106539026) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
PubChem CID106539026
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
SMILESCOc1ccc2ccnc(NCC3CN(C)CCO3)c2c1
InChIInChI=1S/C16H21N3O2/c1-19-7-8-21-14(11-19)10-18-16-15-9-13(20-2)4-3-12(15)5-6-17-16/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,17,18)
InChIKeyGJKOOZVUIWPXPJ-UHFFFAOYSA-N
XLogP1.99
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine?
The IUPAC name of 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine (CID 106539026) is 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine.
What is the SMILES notation for 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine?
The canonical SMILES for 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine is COc1ccc2ccnc(NCC3CN(C)CCO3)c2c1.
What is the InChIKey of 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine?
The InChIKey is GJKOOZVUIWPXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-7-8-21-14(11-19)10-18-16-15-9-13(20-2)4-3-12(15)5-6-17-16/h3-6,9,14H,7-8,10-11H2,1-2H3,(H,17,18).
What are the key properties of 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine?
7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine has a molecular weight of 287.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine is sourced from PubChem (CID 106539026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).