methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate

C14H10FNO3S — CID 56604097

IUPACmethyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(cnc3c(C)ccc(F)c32)c1O
InChIInChI=1S/C14H10FNO3S/c1-6-3-4-8(15)9-10(6)16-5-7-11(17)13(14(18)19-2)20-12(7)9/h3-5,17H,1-2H3
InChIKeyYVVBIOXHGXUJTA-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.39
Rot. Bonds1

About methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate

methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate (PubChem CID 56604097) has the molecular formula C14H10FNO3S and a molecular weight of 291.30 g/mol. Its IUPAC name is methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate
PubChem CID56604097
Molecular FormulaC14H10FNO3S
Molecular Weight291.30 g/mol
Exact Mass291.04
IUPAC Namemethyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate
SMILESCOC(=O)c1sc2c(cnc3c(C)ccc(F)c32)c1O
InChIInChI=1S/C14H10FNO3S/c1-6-3-4-8(15)9-10(6)16-5-7-11(17)13(14(18)19-2)20-12(7)9/h3-5,17H,1-2H3
InChIKeyYVVBIOXHGXUJTA-UHFFFAOYSA-N
XLogP3.39
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.39
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 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate (CID 56604097) is methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate is COC(=O)c1sc2c(cnc3c(C)ccc(F)c32)c1O.
What is the InChIKey of methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is YVVBIOXHGXUJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNO3S/c1-6-3-4-8(15)9-10(6)16-5-7-11(17)13(14(18)19-2)20-12(7)9/h3-5,17H,1-2H3.
What are the key properties of methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate?
methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 291.30 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 56604097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).