2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

C16H13NO3 — CID 865220

IUPAC2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccco3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H13NO3/c1-9-6-10(2)15-11(7-9)12(16(18)19)8-13(17-15)14-4-3-5-20-14/h3-8H,1-2H3,(H,18,19)
InChIKeyNASQRPYCEFNUAQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.81
Rot. Bonds2

About 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid

2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (PubChem CID 865220) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
PubChem CID865220
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
SMILESCc1cc(C)c2nc(-c3ccco3)cc(C(=O)O)c2c1
InChIInChI=1S/C16H13NO3/c1-9-6-10(2)15-11(7-9)12(16(18)19)8-13(17-15)14-4-3-5-20-14/h3-8H,1-2H3,(H,18,19)
InChIKeyNASQRPYCEFNUAQ-UHFFFAOYSA-N
XLogP3.81
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid (CID 865220) is 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid is Cc1cc(C)c2nc(-c3ccco3)cc(C(=O)O)c2c1.
What is the InChIKey of 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
The InChIKey is NASQRPYCEFNUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-9-6-10(2)15-11(7-9)12(16(18)19)8-13(17-15)14-4-3-5-20-14/h3-8H,1-2H3,(H,18,19).
What are the key properties of 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid?
2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6,8-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 865220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).