5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid

C15H11NO4 — CID 56716559

IUPAC5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)o2)c2cccnc12
InChIInChI=1S/C15H11NO4/c1-19-12-5-4-9(10-3-2-8-16-14(10)12)11-6-7-13(20-11)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyIAEACATYNVXHIY-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.20
Rot. Bonds3

About 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid

5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid (PubChem CID 56716559) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
PubChem CID56716559
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid
SMILESCOc1ccc(-c2ccc(C(=O)O)o2)c2cccnc12
InChIInChI=1S/C15H11NO4/c1-19-12-5-4-9(10-3-2-8-16-14(10)12)11-6-7-13(20-11)15(17)18/h2-8H,1H3,(H,17,18)
InChIKeyIAEACATYNVXHIY-UHFFFAOYSA-N
XLogP3.20
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid?
The IUPAC name of 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid (CID 56716559) is 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid?
The canonical SMILES for 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid is COc1ccc(-c2ccc(C(=O)O)o2)c2cccnc12.
What is the InChIKey of 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid?
The InChIKey is IAEACATYNVXHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-19-12-5-4-9(10-3-2-8-16-14(10)12)11-6-7-13(20-11)15(17)18/h2-8H,1H3,(H,17,18).
What are the key properties of 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid?
5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-methoxyquinolin-5-yl)furan-2-carboxylic acid is sourced from PubChem (CID 56716559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).