3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone

C21H21N3O2S — CID 121127918

About 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone (PubChem CID 121127918) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone.

Molecular Properties

• Compound Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
• PubChem CID: 121127918
• Molecular Formula: C21H21N3O2S
• Molecular Weight: 379.49 g/mol
• Exact Mass: 379.14
• IUPAC Name: 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone
• SMILES: COc1cccc2sc(N3CC(C(=O)N4CCCc5ccccc54)C3)nc12
• InChI: InChI=1S/C21H21N3O2S/c1-26-17-9-4-10-18-19(17)22-21(27-18)23-12-15(13-23)20(25)24-11-5-7-14-6-2-3-8-16(14)24/h2-4,6,8-10,15H,5,7,11-13H2,1H3
• InChIKey: JOTFESGVCMNJGQ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 45.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.49
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?

The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone (CID 121127918) is 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone.

What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?

The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone is COc1cccc2sc(N3CC(C(=O)N4CCCc5ccccc54)C3)nc12.

What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?

The InChIKey is JOTFESGVCMNJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-26-17-9-4-10-18-19(17)22-21(27-18)23-12-15(13-23)20(25)24-11-5-7-14-6-2-3-8-16(14)24/h2-4,6,8-10,15H,5,7,11-13H2,1H3.

What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone?

3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone has a molecular weight of 379.49 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxy-1,3-benzothiazol-2-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 121127918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).