4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid

C14H15NO3 — CID 84631832

IUPAC4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C14H15NO3/c1-4-9-10-6-7(2)5-8(3)12(10)15-13(16)11(9)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJUVYRMZLGSQMDK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.41
Rot. Bonds2

About 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid

4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 84631832) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID84631832
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(=O)[nH]c2c(C)cc(C)cc12
InChIInChI=1S/C14H15NO3/c1-4-9-10-6-7(2)5-8(3)12(10)15-13(16)11(9)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyJUVYRMZLGSQMDK-UHFFFAOYSA-N
XLogP2.41
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid (CID 84631832) is 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid is CCc1c(C(=O)O)c(=O)[nH]c2c(C)cc(C)cc12.
What is the InChIKey of 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is JUVYRMZLGSQMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-4-9-10-6-7(2)5-8(3)12(10)15-13(16)11(9)14(17)18/h5-6H,4H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid?
4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6,8-dimethyl-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84631832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).