N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

C18H15N5O2S — CID 10021751

IUPACN-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESO=C(NC1CNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C18H15N5O2S/c24-17(20-12-7-19-8-12)14-6-16-21-22-18(25)23(16)15-5-10(1-2-13(14)15)11-3-4-26-9-11/h1-6,9,12,19H,7-8H2,(H,20,24)(H,22,25)
InChIKeyJLMGTQDHCOUDLN-UHFFFAOYSA-N
MW365.42 g/mol
LogP1.61
Rot. Bonds3

About N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (PubChem CID 10021751) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
PubChem CID10021751
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESO=C(NC1CNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C18H15N5O2S/c24-17(20-12-7-19-8-12)14-6-16-21-22-18(25)23(16)15-5-10(1-2-13(14)15)11-3-4-26-9-11/h1-6,9,12,19H,7-8H2,(H,20,24)(H,22,25)
InChIKeyJLMGTQDHCOUDLN-UHFFFAOYSA-N
XLogP1.61
TPSA91.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (CID 10021751) is N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is O=C(NC1CNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12.
What is the InChIKey of N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The InChIKey is JLMGTQDHCOUDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c24-17(20-12-7-19-8-12)14-6-16-21-22-18(25)23(16)15-5-10(1-2-13(14)15)11-3-4-26-9-11/h1-6,9,12,19H,7-8H2,(H,20,24)(H,22,25).
What are the key properties of N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-1-oxo-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is sourced from PubChem (CID 10021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).