[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone

C19H15ClN2O2 — CID 67169966

IUPAC[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H15ClN2O2/c20-14-6-8-15(9-7-14)24-16-11-22(12-16)19(23)17-5-1-3-13-4-2-10-21-18(13)17/h1-10,16H,11-12H2
InChIKeyAVZRUSHVLCZBNG-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.79
Rot. Bonds3

About [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone

[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 67169966) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone
PubChem CID67169966
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CC(Oc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H15ClN2O2/c20-14-6-8-15(9-7-14)24-16-11-22(12-16)19(23)17-5-1-3-13-4-2-10-21-18(13)17/h1-10,16H,11-12H2
InChIKeyAVZRUSHVLCZBNG-UHFFFAOYSA-N
XLogP3.79
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone (CID 67169966) is [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1CC(Oc2ccc(Cl)cc2)C1.
What is the InChIKey of [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is AVZRUSHVLCZBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-14-6-8-15(9-7-14)24-16-11-22(12-16)19(23)17-5-1-3-13-4-2-10-21-18(13)17/h1-10,16H,11-12H2.
What are the key properties of [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone?
[3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 338.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenoxy)azetidin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 67169966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).