(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone

C19H21N3O3 — CID 90511576

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone (PubChem CID 90511576) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone
• PubChem CID: 90511576
• Molecular Formula: C19H21N3O3
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.16
• IUPAC Name: (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone
• SMILES: Cc1ccc2c(c1)CCCN2C(=O)C1CN(C(=O)c2cc(C)on2)C1
• InChI: InChI=1S/C19H21N3O3/c1-12-5-6-17-14(8-12)4-3-7-22(17)18(23)15-10-21(11-15)19(24)16-9-13(2)25-20-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3
• InChIKey: IBXFSYWNSWRKOB-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone?

The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone (CID 90511576) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone.

What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone?

The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone is Cc1ccc2c(c1)CCCN2C(=O)C1CN(C(=O)c2cc(C)on2)C1.

What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone?

The InChIKey is IBXFSYWNSWRKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-5-6-17-14(8-12)4-3-7-22(17)18(23)15-10-21(11-15)19(24)16-9-13(2)25-20-16/h5-6,8-9,15H,3-4,7,10-11H2,1-2H3.

What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone?

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone has a molecular weight of 339.40 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(5-methyl-1,2-oxazole-3-carbonyl)azetidin-3-yl]methanone is sourced from PubChem (CID 90511576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).