methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate

C15H14N2O2S — CID 855651

IUPACmethyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
SMILESCCc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1
InChIInChI=1S/C15H14N2O2S/c1-3-8-4-5-11-9(6-8)7-10-12(16)13(15(18)19-2)20-14(10)17-11/h4-7H,3,16H2,1-2H3
InChIKeyGNYLEGJEOTXXTC-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.38
Rot. Bonds2

About methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate

methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate (PubChem CID 855651) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
PubChem CID855651
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Namemethyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
SMILESCCc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1
InChIInChI=1S/C15H14N2O2S/c1-3-8-4-5-11-9(6-8)7-10-12(16)13(15(18)19-2)20-14(10)17-11/h4-7H,3,16H2,1-2H3
InChIKeyGNYLEGJEOTXXTC-UHFFFAOYSA-N
XLogP3.38
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate (CID 855651) is methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate is CCc1ccc2nc3sc(C(=O)OC)c(N)c3cc2c1.
What is the InChIKey of methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is GNYLEGJEOTXXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-3-8-4-5-11-9(6-8)7-10-12(16)13(15(18)19-2)20-14(10)17-11/h4-7H,3,16H2,1-2H3.
What are the key properties of methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 286.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 855651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).