cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate

C19H19NO3S2 — CID 67873320

IUPACcyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate
SMILESCSc1nc2ccccc2c2sc(C(=O)OC3CCCCC3)c(O)c12
InChIInChI=1S/C19H19NO3S2/c1-24-18-14-15(21)17(19(22)23-11-7-3-2-4-8-11)25-16(14)12-9-5-6-10-13(12)20-18/h5-6,9-11,21H,2-4,7-8H2,1H3
InChIKeyRHJONTDLBPUMMX-UHFFFAOYSA-N
MW373.50 g/mol
LogP5.37
Rot. Bonds3

About cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate

cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate (PubChem CID 67873320) has the molecular formula C19H19NO3S2 and a molecular weight of 373.50 g/mol. Its IUPAC name is cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate.

Molecular Properties

Compound Namecyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate
PubChem CID67873320
Molecular FormulaC19H19NO3S2
Molecular Weight373.50 g/mol
Exact Mass373.08
IUPAC Namecyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate
SMILESCSc1nc2ccccc2c2sc(C(=O)OC3CCCCC3)c(O)c12
InChIInChI=1S/C19H19NO3S2/c1-24-18-14-15(21)17(19(22)23-11-7-3-2-4-8-11)25-16(14)12-9-5-6-10-13(12)20-18/h5-6,9-11,21H,2-4,7-8H2,1H3
InChIKeyRHJONTDLBPUMMX-UHFFFAOYSA-N
XLogP5.37
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-Methoxythieno[2,3-b]quinoline-2-carboxylic acid
CID 778245
Methyl 4-[(3-methylphenyl)methoxy]-2-(methylsulfanyl)quinoline-3-carboxylate
CID 16025883
3-Hydroxy-6-methylthieno[2,3-b]pyridine-2-carboxylic acid
CID 62706328
Methyl 3-hydroxythieno[3,2-c]quinoline-2-carboxylate
CID 54732802
(2-Acetylphenyl) thieno[2,3-b]quinoline-2-carboxylate
CID 139237645
Methyl 3-hydroxy-8-(trifluoromethyl)thieno[3,2-c]quinoline-2-carboxylate
CID 54727769
Methyl 6,8-difluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
CID 54727772
Methyl 6-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
CID 54728065
Methyl 8-fluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
CID 54728066
Methyl 3-hydroxy-7-(trifluoromethyl)thieno[3,2-c]quinoline-2-carboxylate
CID 54737693
Methyl 6,9-difluoro-3-hydroxythieno[3,2-c]quinoline-2-carboxylate
CID 56604096
Methyl 9-fluoro-3-hydroxy-6-methylthieno[3,2-c]quinoline-2-carboxylate
CID 56604097

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate?
The IUPAC name of cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate (CID 67873320) is cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate.
What is the SMILES notation for cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate?
The canonical SMILES for cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate is CSc1nc2ccccc2c2sc(C(=O)OC3CCCCC3)c(O)c12.
What is the InChIKey of cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate?
The InChIKey is RHJONTDLBPUMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S2/c1-24-18-14-15(21)17(19(22)23-11-7-3-2-4-8-11)25-16(14)12-9-5-6-10-13(12)20-18/h5-6,9-11,21H,2-4,7-8H2,1H3.
What are the key properties of cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate?
cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate has a molecular weight of 373.50 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-hydroxy-4-methylsulfanylthieno[3,2-c]quinoline-2-carboxylate is sourced from PubChem (CID 67873320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).