3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one

C15H15ClN2O2 — CID 122250273

IUPAC3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
SMILESO=C(CCCl)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C15H15ClN2O2/c16-8-7-15(19)18-9-12(10-18)20-14-6-5-11-3-1-2-4-13(11)17-14/h1-6,12H,7-10H2
InChIKeyRNJPFJLNOZMYQJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.45
Rot. Bonds4

About 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one

3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one (PubChem CID 122250273) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
PubChem CID122250273
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one
SMILESO=C(CCCl)N1CC(Oc2ccc3ccccc3n2)C1
InChIInChI=1S/C15H15ClN2O2/c16-8-7-15(19)18-9-12(10-18)20-14-6-5-11-3-1-2-4-13(11)17-14/h1-6,12H,7-10H2
InChIKeyRNJPFJLNOZMYQJ-UHFFFAOYSA-N
XLogP2.45
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one (CID 122250273) is 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one is O=C(CCCl)N1CC(Oc2ccc3ccccc3n2)C1.
What is the InChIKey of 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one?
The InChIKey is RNJPFJLNOZMYQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-8-7-15(19)18-9-12(10-18)20-14-6-5-11-3-1-2-4-13(11)17-14/h1-6,12H,7-10H2.
What are the key properties of 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one?
3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one has a molecular weight of 290.75 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-quinolin-2-yloxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 122250273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).