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

C16H13N3O2S — CID 58902644

IUPAC5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCOCc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C16H13N3O2S/c1-21-8-12-7-15-17-18-16(20)19(15)14-6-10(2-3-13(12)14)11-4-5-22-9-11/h2-7,9H,8H2,1H3,(H,18,20)
InChIKeyPYCPFPFXNXEALS-UHFFFAOYSA-N
MW311.37 g/mol
LogP3.05
Rot. Bonds3

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

5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (PubChem CID 58902644) has the molecular formula C16H13N3O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.

Molecular Properties

Compound Name5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
PubChem CID58902644
Molecular FormulaC16H13N3O2S
Molecular Weight311.37 g/mol
Exact Mass311.07
IUPAC Name5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
SMILESCOCc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12
InChIInChI=1S/C16H13N3O2S/c1-21-8-12-7-15-17-18-16(20)19(15)14-6-10(2-3-13(12)14)11-4-5-22-9-11/h2-7,9H,8H2,1H3,(H,18,20)
InChIKeyPYCPFPFXNXEALS-UHFFFAOYSA-N
XLogP3.05
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one with MolForge

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Related Compounds

5-amino-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 57345537
5-amino-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452237
5-methyl-8-(4-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 10266513
5-methyl-8-(thiophen-2-yl)-[1,2,4]triazolo[4,3-a]quinolin-1(2H)-one
CID 49865545
5-(Hydroxymethyl)-8-thien-3-yl[1,2,4]triazolo[4,3-a]quinolin-1(2h)-one
CID 58902643
5-(hydroxymethyl)-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69452226
5-amino-8-[5-(methylaminomethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 69455856
5-[[3-(dimethylamino)propylamino]methyl]-8-[5-(methylaminomethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10025393
4-(hydroxymethyl)-8-thiophen-2-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10040274
5-[(3-hydroxypropylamino)methyl]-8-[5-(methylaminomethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10092230
5-[[3-(dimethylamino)propyl-methylamino]methyl]-8-[5-(methylaminomethyl)thiophen-3-yl]-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10252598
5-(morpholin-4-ylmethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one
CID 10316837

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The IUPAC name of 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one (CID 58902644) is 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one.
What is the SMILES notation for 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The canonical SMILES for 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is COCc1cc2n[nH]c(=O)n2c2cc(-c3ccsc3)ccc12.
What is the InChIKey of 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
The InChIKey is PYCPFPFXNXEALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2S/c1-21-8-12-7-15-17-18-16(20)19(15)14-6-10(2-3-13(12)14)11-4-5-22-9-11/h2-7,9H,8H2,1H3,(H,18,20).
What are the key properties of 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one?
5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one has a molecular weight of 311.37 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-8-thiophen-3-yl-2H-[1,2,4]triazolo[4,3-a]quinolin-1-one is sourced from PubChem (CID 58902644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).