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

C14H12N2O3S — CID 865472

IUPACmethyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3ccc(OC)cc3cc2c1N
InChIInChI=1S/C14H12N2O3S/c1-18-8-3-4-10-7(5-8)6-9-11(15)12(14(17)19-2)20-13(9)16-10/h3-6H,15H2,1-2H3
InChIKeyXRJKHUHLPVGTCL-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.83
Rot. Bonds2

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

methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate (PubChem CID 865472) has the molecular formula C14H12N2O3S and a molecular weight of 288.33 g/mol. Its IUPAC name is methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate
PubChem CID865472
Molecular FormulaC14H12N2O3S
Molecular Weight288.33 g/mol
Exact Mass288.06
IUPAC Namemethyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3ccc(OC)cc3cc2c1N
InChIInChI=1S/C14H12N2O3S/c1-18-8-3-4-10-7(5-8)6-9-11(15)12(14(17)19-2)20-13(9)16-10/h3-6H,15H2,1-2H3
InChIKeyXRJKHUHLPVGTCL-UHFFFAOYSA-N
XLogP2.83
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-amino-4,6-dimethylthieno(2,3-b)pyridine-2-carboxylate
CID 753694
3-amino-N-cyclopropyl-6-(3-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3324427
3-amino-N-(4-methoxyphenyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 689989
(3-Amino-4,6-dimethylthieno[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 698706
3-Amino-N,6-bis(4-methoxyphenyl)-4-(trifluoromethyl)thieno(2,3-B)pyridine-2-carboxamide
CID 1283826
3-Amino-6-ethoxythiopheno[2,3-b]quinolin-2-yl morpholin-4-yl ketone
CID 1164074
Methyl 6-methyl-3-[(3,4,5-trimethoxyphenyl) amino]thieno[2,3-b]pyridine-2-carboxylate
CID 71601957
Methyl 3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 2838748
Ethyl 3-amino-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 690223
Methyl 3-amino-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxylate
CID 949348
3-amino-4-(methoxymethyl)-N-(4-methoxyphenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1018148
2-[(4-Methoxyphenyl)carbonyl]-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine
CID 2345204

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate (CID 865472) is methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate is COC(=O)c1sc2nc3ccc(OC)cc3cc2c1N.
What is the InChIKey of methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is XRJKHUHLPVGTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S/c1-18-8-3-4-10-7(5-8)6-9-11(15)12(14(17)19-2)20-13(9)16-10/h3-6H,15H2,1-2H3.
What are the key properties of methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-6-methoxythieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 288.33 g/mol, XLogP of 2.83, 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-methoxythieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 865472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).