(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

C19H19FN2O2S — CID 52992953

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (PubChem CID 52992953) has the molecular formula C19H19FN2O2S and a molecular weight of 358.44 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
• PubChem CID: 52992953
• Molecular Formula: C19H19FN2O2S
• Molecular Weight: 358.44 g/mol
• Exact Mass: 358.12
• IUPAC Name: (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone
• SMILES: CC1CCc2cc(F)ccc2N1C(=O)C1CN(C(=O)c2cccs2)C1
• InChI: InChI=1S/C19H19FN2O2S/c1-12-4-5-13-9-15(20)6-7-16(13)22(12)18(23)14-10-21(11-14)19(24)17-3-2-8-25-17/h2-3,6-9,12,14H,4-5,10-11H2,1H3
• InChIKey: MZDSAVRWQIDIKR-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.44
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?

The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone (CID 52992953) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone.

What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?

The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is CC1CCc2cc(F)ccc2N1C(=O)C1CN(C(=O)c2cccs2)C1.

What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?

The InChIKey is MZDSAVRWQIDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S/c1-12-4-5-13-9-15(20)6-7-16(13)22(12)18(23)14-10-21(11-14)19(24)17-3-2-8-25-17/h2-3,6-9,12,14H,4-5,10-11H2,1H3.

What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone?

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(thiophene-2-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 52992953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).