4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid

C15H11NO4S — CID 106541785

IUPAC4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
SMILESCOc1ccc2c(Oc3csc(C(=O)O)c3)nccc2c1
InChIInChI=1S/C15H11NO4S/c1-19-10-2-3-12-9(6-10)4-5-16-14(12)20-11-7-13(15(17)18)21-8-11/h2-8H,1H3,(H,17,18)
InChIKeyDEXGMUQVGNSUDC-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.80
Rot. Bonds4

About 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid

4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid (PubChem CID 106541785) has the molecular formula C15H11NO4S and a molecular weight of 301.32 g/mol. Its IUPAC name is 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
PubChem CID106541785
Molecular FormulaC15H11NO4S
Molecular Weight301.32 g/mol
Exact Mass301.04
IUPAC Name4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid
SMILESCOc1ccc2c(Oc3csc(C(=O)O)c3)nccc2c1
InChIInChI=1S/C15H11NO4S/c1-19-10-2-3-12-9(6-10)4-5-16-14(12)20-11-7-13(15(17)18)21-8-11/h2-8H,1H3,(H,17,18)
InChIKeyDEXGMUQVGNSUDC-UHFFFAOYSA-N
XLogP3.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66436440
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
4-(2,6-dimethoxyphenoxy)thiophene-2-carboxylic acid
CID 113404010
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436488
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123
4-fluoro-2-(6-methoxyisoquinolin-1-yl)oxyaniline
CID 106540081
4-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]thiophene-2-carboxylic acid
CID 66437798

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid (CID 106541785) is 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid is COc1ccc2c(Oc3csc(C(=O)O)c3)nccc2c1.
What is the InChIKey of 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid?
The InChIKey is DEXGMUQVGNSUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4S/c1-19-10-2-3-12-9(6-10)4-5-16-14(12)20-11-7-13(15(17)18)21-8-11/h2-8H,1H3,(H,17,18).
What are the key properties of 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid?
4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyisoquinolin-1-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 106541785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).