2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid

C15H11NO3 — CID 693021

IUPAC2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1
InChIInChI=1S/C15H11NO3/c1-9-6-7-14(19-9)13-8-11(15(17)18)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,17,18)
InChIKeyGRJBJZDHYLETNS-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.50
Rot. Bonds2

About 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid

2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid (PubChem CID 693021) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
PubChem CID693021
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1
InChIInChI=1S/C15H11NO3/c1-9-6-7-14(19-9)13-8-11(15(17)18)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,17,18)
InChIKeyGRJBJZDHYLETNS-UHFFFAOYSA-N
XLogP3.50
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid (CID 693021) is 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)c3ccccc3n2)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
The InChIKey is GRJBJZDHYLETNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c1-9-6-7-14(19-9)13-8-11(15(17)18)10-4-2-3-5-12(10)16-13/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid?
2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 693021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).