methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

C13H14N2O2S — CID 2838748

IUPACmethyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C13H14N2O2S/c1-17-13(16)11-10(14)8-6-7-4-2-3-5-9(7)15-12(8)18-11/h6H,2-5,14H2,1H3
InChIKeyGVZNNNWVSDWYFO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.54
Rot. Bonds1

About methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate

methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (PubChem CID 2838748) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
PubChem CID2838748
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Namemethyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3c(cc2c1N)CCCC3
InChIInChI=1S/C13H14N2O2S/c1-17-13(16)11-10(14)8-6-7-4-2-3-5-9(7)15-12(8)18-11/h6H,2-5,14H2,1H3
InChIKeyGVZNNNWVSDWYFO-UHFFFAOYSA-N
XLogP2.54
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate (CID 2838748) is methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is COC(=O)c1sc2nc3c(cc2c1N)CCCC3.
What is the InChIKey of methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is GVZNNNWVSDWYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-17-13(16)11-10(14)8-6-7-4-2-3-5-9(7)15-12(8)18-11/h6H,2-5,14H2,1H3.
What are the key properties of methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 2838748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).