3-ethyl-2,4-dimethylquinoline-6-carboxylic acid

C14H15NO2 — CID 50888886

IUPAC3-ethyl-2,4-dimethylquinoline-6-carboxylic acid
SMILESCCc1c(C)nc2ccc(C(=O)O)cc2c1C
InChIInChI=1S/C14H15NO2/c1-4-11-8(2)12-7-10(14(16)17)5-6-13(12)15-9(11)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyJGEZAFNCHVGQDA-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.11
Rot. Bonds2

About 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid

3-ethyl-2,4-dimethylquinoline-6-carboxylic acid (PubChem CID 50888886) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2,4-dimethylquinoline-6-carboxylic acid
PubChem CID50888886
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-ethyl-2,4-dimethylquinoline-6-carboxylic acid
SMILESCCc1c(C)nc2ccc(C(=O)O)cc2c1C
InChIInChI=1S/C14H15NO2/c1-4-11-8(2)12-7-10(14(16)17)5-6-13(12)15-9(11)3/h5-7H,4H2,1-3H3,(H,16,17)
InChIKeyJGEZAFNCHVGQDA-UHFFFAOYSA-N
XLogP3.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid?
The IUPAC name of 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid (CID 50888886) is 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid.
What is the SMILES notation for 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid?
The canonical SMILES for 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid is CCc1c(C)nc2ccc(C(=O)O)cc2c1C.
What is the InChIKey of 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid?
The InChIKey is JGEZAFNCHVGQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-4-11-8(2)12-7-10(14(16)17)5-6-13(12)15-9(11)3/h5-7H,4H2,1-3H3,(H,16,17).
What are the key properties of 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid?
3-ethyl-2,4-dimethylquinoline-6-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethylquinoline-6-carboxylic acid is sourced from PubChem (CID 50888886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).