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

C13H9FN2O2S — CID 155568119

IUPACmethyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3ccc(F)cc3cc2c1N
InChIInChI=1S/C13H9FN2O2S/c1-18-13(17)11-10(15)8-5-6-4-7(14)2-3-9(6)16-12(8)19-11/h2-5H,15H2,1H3
InChIKeyGFFAQKFGWNYDCS-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.96
Rot. Bonds1

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

methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate (PubChem CID 155568119) has the molecular formula C13H9FN2O2S and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
PubChem CID155568119
Molecular FormulaC13H9FN2O2S
Molecular Weight276.29 g/mol
Exact Mass276.04
IUPAC Namemethyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2nc3ccc(F)cc3cc2c1N
InChIInChI=1S/C13H9FN2O2S/c1-18-13(17)11-10(15)8-5-6-4-7(14)2-3-9(6)16-12(8)19-11/h2-5H,15H2,1H3
InChIKeyGFFAQKFGWNYDCS-UHFFFAOYSA-N
XLogP2.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-6-ethylthieno[2,3-b]quinoline-2-carboxylate
CID 855651
methyl 3-amino-6-ethoxythieno[2,3-b]quinoline-2-carboxylate
CID 865502
methyl 2-[(3-amino-6-methoxythieno[2,3-b]quinoline-2-carbonyl)amino]acetate
CID 155515018
methyl 3-amino-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 792057
methyl 3-amino-5-bromo-6-methylthieno[2,3-b]pyridine-2-carboxylate
CID 131254450
methyl 3-amino-6,8-dimethylthieno[2,3-b]quinoline-2-carboxylate
CID 155547827
3-amino-N-cyclopentyl-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 856692
6-fluorothieno[2,3-b]quinoline-2-carboxylic acid
CID 44754716
3-amino-N-tert-butyl-6-ethoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207407
3-amino-6-methoxy-N-(2-methylcyclohexyl)thieno[2,3-b]quinoline-2-carboxamide
CID 3167506
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
3-amino-N-(2-ethoxyphenyl)-6-methoxythieno[2,3-b]quinoline-2-carboxamide
CID 3207356

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate?
The IUPAC name of methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate (CID 155568119) is methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate.
What is the SMILES notation for methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate?
The canonical SMILES for methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate is COC(=O)c1sc2nc3ccc(F)cc3cc2c1N.
What is the InChIKey of methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate?
The InChIKey is GFFAQKFGWNYDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S/c1-18-13(17)11-10(15)8-5-6-4-7(14)2-3-9(6)16-12(8)19-11/h2-5H,15H2,1H3.
What are the key properties of methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate?
methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-6-fluorothieno[2,3-b]quinoline-2-carboxylate is sourced from PubChem (CID 155568119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).