5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

C18H15N5O2S — CID 69453492

About 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one

5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 69453492) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

• Compound Name: 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
• PubChem CID: 69453492
• Molecular Formula: C18H15N5O2S
• Molecular Weight: 365.42 g/mol
• Exact Mass: 365.09
• IUPAC Name: 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
• SMILES: NC1CN(C(=O)c2cc3n[nH]c(=O)n3c3cc(-c4ccsc4)ccc23)C1
• InChI: InChI=1S/C18H15N5O2S/c19-12-7-22(8-12)17(24)14-6-16-20-21-18(25)23(16)15-5-10(1-2-13(14)15)11-3-4-26-9-11/h1-6,9,12H,7-8,19H2,(H,21,25)
• InChIKey: UEFADLOOMPIATJ-UHFFFAOYSA-N
• XLogP: 1.69
• TPSA: 96.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.42
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?

The IUPAC name of 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 69453492) is 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

What is the SMILES notation for 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?

The canonical SMILES for 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is NC1CN(C(=O)c2cc3n[nH]c(=O)n3c3cc(-c4ccsc4)ccc23)C1.

What is the InChIKey of 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?

The InChIKey is UEFADLOOMPIATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c19-12-7-22(8-12)17(24)14-6-16-20-21-18(25)23(16)15-5-10(1-2-13(14)15)11-3-4-26-9-11/h1-6,9,12H,7-8,19H2,(H,21,25).

What are the key properties of 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?

5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 365.42 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-aminoazetidine-1-carbonyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 69453492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).