1-(2-methoxyquinolin-5-yl)azetidin-3-amine

C13H15N3O — CID 96601238

IUPAC1-(2-methoxyquinolin-5-yl)azetidin-3-amine
SMILESCOc1ccc2c(N3CC(N)C3)cccc2n1
InChIInChI=1S/C13H15N3O/c1-17-13-6-5-10-11(15-13)3-2-4-12(10)16-7-9(14)8-16/h2-6,9H,7-8,14H2,1H3
InChIKeyMJFVYGFDZDFMCK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-methoxyquinolin-5-yl)azetidin-3-amine

1-(2-methoxyquinolin-5-yl)azetidin-3-amine (PubChem CID 96601238) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-(2-methoxyquinolin-5-yl)azetidin-3-amine.

Molecular Properties

Compound Name1-(2-methoxyquinolin-5-yl)azetidin-3-amine
PubChem CID96601238
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1-(2-methoxyquinolin-5-yl)azetidin-3-amine
SMILESCOc1ccc2c(N3CC(N)C3)cccc2n1
InChIInChI=1S/C13H15N3O/c1-17-13-6-5-10-11(15-13)3-2-4-12(10)16-7-9(14)8-16/h2-6,9H,7-8,14H2,1H3
InChIKeyMJFVYGFDZDFMCK-UHFFFAOYSA-N
XLogP1.39
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyquinolin-5-yl)azetidin-3-amine?
The IUPAC name of 1-(2-methoxyquinolin-5-yl)azetidin-3-amine (CID 96601238) is 1-(2-methoxyquinolin-5-yl)azetidin-3-amine.
What is the SMILES notation for 1-(2-methoxyquinolin-5-yl)azetidin-3-amine?
The canonical SMILES for 1-(2-methoxyquinolin-5-yl)azetidin-3-amine is COc1ccc2c(N3CC(N)C3)cccc2n1.
What is the InChIKey of 1-(2-methoxyquinolin-5-yl)azetidin-3-amine?
The InChIKey is MJFVYGFDZDFMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-13-6-5-10-11(15-13)3-2-4-12(10)16-7-9(14)8-16/h2-6,9H,7-8,14H2,1H3.
What are the key properties of 1-(2-methoxyquinolin-5-yl)azetidin-3-amine?
1-(2-methoxyquinolin-5-yl)azetidin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyquinolin-5-yl)azetidin-3-amine is sourced from PubChem (CID 96601238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).