methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate

C13H8FNO3S — CID 54728065

IUPACmethyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(cnc3c(F)cccc32)c1O
InChIInChI=1S/C13H8FNO3S/c1-18-13(17)12-10(16)7-5-15-9-6(11(7)19-12)3-2-4-8(9)14/h2-5,16H,1H3
InChIKeyYBXYPAWXPNVNSN-UHFFFAOYSA-N
MW277.28 g/mol
LogP3.08
Rot. Bonds1

About methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate

methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate (PubChem CID 54728065) has the molecular formula C13H8FNO3S and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
PubChem CID54728065
Molecular FormulaC13H8FNO3S
Molecular Weight277.28 g/mol
Exact Mass277.02
IUPAC Namemethyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(cnc3c(F)cccc32)c1O
InChIInChI=1S/C13H8FNO3S/c1-18-13(17)12-10(16)7-5-15-9-6(11(7)19-12)3-2-4-8(9)14/h2-5,16H,1H3
InChIKeyYBXYPAWXPNVNSN-UHFFFAOYSA-N
XLogP3.08
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate (CID 54728065) is methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate is COC(=O)c1sc2c(cnc3c(F)cccc32)c1O.
What is the InChIKey of methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is YBXYPAWXPNVNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO3S/c1-18-13(17)12-10(16)7-5-15-9-6(11(7)19-12)3-2-4-8(9)14/h2-5,16H,1H3.
What are the key properties of methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate?
methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 277.28 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 54728065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).