methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate

C18H13N3O2S — CID 50908356

IUPACmethyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cnc4ccccc4c3)cnc2c1N
InChIInChI=1S/C18H13N3O2S/c1-23-18(22)17-15(19)16-14(24-17)7-12(9-21-16)11-6-10-4-2-3-5-13(10)20-8-11/h2-9H,19H2,1H3
InChIKeyJWVJGVXGOWKCIE-UHFFFAOYSA-N
MW335.39 g/mol
LogP3.88
Rot. Bonds2

About methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate

methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate (PubChem CID 50908356) has the molecular formula C18H13N3O2S and a molecular weight of 335.39 g/mol. Its IUPAC name is methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
PubChem CID50908356
Molecular FormulaC18H13N3O2S
Molecular Weight335.39 g/mol
Exact Mass335.07
IUPAC Namemethyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate
SMILESCOC(=O)c1sc2cc(-c3cnc4ccccc4c3)cnc2c1N
InChIInChI=1S/C18H13N3O2S/c1-23-18(22)17-15(19)16-14(24-17)7-12(9-21-16)11-6-10-4-2-3-5-13(10)20-8-11/h2-9H,19H2,1H3
InChIKeyJWVJGVXGOWKCIE-UHFFFAOYSA-N
XLogP3.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-{2-oxo-2-[(2-thienylmethyl)amino]ethyl}-1H-indole-3-carboxylate
CID 952050
Methyl 3-aminothieno[2,3-c]pyridine-2-carboxylate
CID 2764765
Methyl 3-amino-6-[2-(4-methoxyphenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994345
Ethyl 3-amino-6-(pyridin-3-yl)thieno[2,3-b]pyridine-2-carboxylate
CID 753891
Methyl 3-(3-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 5238869
Methyl 3-amino-6-(5-thiophen-2-ylthiophen-2-yl)thieno[3,2-b]pyridine-2-carboxylate
CID 50908123
Methyl 3-(2-(quinolin-5-yl)acetamido)thiophene-2-carboxylate
CID 52949818
Methyl 3-amino-6-[2-(4-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 50994347
Methyl 3-amino-6-[2-(3-aminophenyl)ethynyl]thieno[3,2-b]pyridine-2-carboxylate
CID 51031930
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate
CID 13793447
Methyl 3-phenyl-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1480204
Methyl 3-(2-pyridinyl)-6-(trifluoromethyl)thieno[3,2-b]pyridine-2-carboxylate
CID 1486478

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
The IUPAC name of methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate (CID 50908356) is methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate is COC(=O)c1sc2cc(-c3cnc4ccccc4c3)cnc2c1N.
What is the InChIKey of methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
The InChIKey is JWVJGVXGOWKCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S/c1-23-18(22)17-15(19)16-14(24-17)7-12(9-21-16)11-6-10-4-2-3-5-13(10)20-8-11/h2-9H,19H2,1H3.
What are the key properties of methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate?
methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate has a molecular weight of 335.39 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-quinolin-3-ylthieno[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 50908356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).