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

C19H18N4O2S — CID 10316837

IUPAC5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CN3CCOCC3)c3ccc(-c4ccsc4)cc3n12
InChIInChI=1S/C19H18N4O2S/c24-19-21-20-18-10-15(11-22-4-6-25-7-5-22)16-2-1-13(9-17(16)23(18)19)14-3-8-26-12-14/h1-3,8-10,12H,4-7,11H2,(H,21,24)
InChIKeyWXXAAXLYFYXQIV-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.74
Rot. Bonds3

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

5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 10316837) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID10316837
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESO=c1[nH]nc2cc(CN3CCOCC3)c3ccc(-c4ccsc4)cc3n12
InChIInChI=1S/C19H18N4O2S/c24-19-21-20-18-10-15(11-22-4-6-25-7-5-22)16-2-1-13(9-17(16)23(18)19)14-3-8-26-12-14/h1-3,8-10,12H,4-7,11H2,(H,21,24)
InChIKeyWXXAAXLYFYXQIV-UHFFFAOYSA-N
XLogP2.74
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 10316837) is 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is O=c1[nH]nc2cc(CN3CCOCC3)c3ccc(-c4ccsc4)cc3n12.
What is the InChIKey of 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is WXXAAXLYFYXQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-19-21-20-18-10-15(11-22-4-6-25-7-5-22)16-2-1-13(9-17(16)23(18)19)14-3-8-26-12-14/h1-3,8-10,12H,4-7,11H2,(H,21,24).
What are the key properties of 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 366.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 10316837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).