2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine

C16H21N3O2 — CID 163275209

IUPAC2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
SMILESCOc1cc2nccc(N3CC(CCN)C3)c2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-15-7-12-13(8-16(15)21-2)18-6-4-14(12)19-9-11(10-19)3-5-17/h4,6-8,11H,3,5,9-10,17H2,1-2H3
InChIKeyZBZQTZOVOOZIJA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.04
Rot. Bonds5

About 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine

2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine (PubChem CID 163275209) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
PubChem CID163275209
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine
SMILESCOc1cc2nccc(N3CC(CCN)C3)c2cc1OC
InChIInChI=1S/C16H21N3O2/c1-20-15-7-12-13(8-16(15)21-2)18-6-4-14(12)19-9-11(10-19)3-5-17/h4,6-8,11H,3,5,9-10,17H2,1-2H3
InChIKeyZBZQTZOVOOZIJA-UHFFFAOYSA-N
XLogP2.04
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine (CID 163275209) is 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine is COc1cc2nccc(N3CC(CCN)C3)c2cc1OC.
What is the InChIKey of 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine?
The InChIKey is ZBZQTZOVOOZIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-20-15-7-12-13(8-16(15)21-2)18-6-4-14(12)19-9-11(10-19)3-5-17/h4,6-8,11H,3,5,9-10,17H2,1-2H3.
What are the key properties of 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine?
2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine has a molecular weight of 287.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6,7-dimethoxyquinolin-4-yl)azetidin-3-yl]ethanamine is sourced from PubChem (CID 163275209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).