6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid

C13H11Cl2NO2 — CID 60984819

IUPAC6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid
SMILESCCc1nc2c(Cl)cc(Cl)cc2c(C(=O)O)c1C
InChIInChI=1S/C13H11Cl2NO2/c1-3-10-6(2)11(13(17)18)8-4-7(14)5-9(15)12(8)16-10/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyUJJSNSFMNSYDBA-UHFFFAOYSA-N
MW284.14 g/mol
LogP4.11
Rot. Bonds2

About 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid

6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid (PubChem CID 60984819) has the molecular formula C13H11Cl2NO2 and a molecular weight of 284.14 g/mol. Its IUPAC name is 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid
PubChem CID60984819
Molecular FormulaC13H11Cl2NO2
Molecular Weight284.14 g/mol
Exact Mass283.02
IUPAC Name6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid
SMILESCCc1nc2c(Cl)cc(Cl)cc2c(C(=O)O)c1C
InChIInChI=1S/C13H11Cl2NO2/c1-3-10-6(2)11(13(17)18)8-4-7(14)5-9(15)12(8)16-10/h4-5H,3H2,1-2H3,(H,17,18)
InChIKeyUJJSNSFMNSYDBA-UHFFFAOYSA-N
XLogP4.11
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid?
The IUPAC name of 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid (CID 60984819) is 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid is CCc1nc2c(Cl)cc(Cl)cc2c(C(=O)O)c1C.
What is the InChIKey of 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid?
The InChIKey is UJJSNSFMNSYDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO2/c1-3-10-6(2)11(13(17)18)8-4-7(14)5-9(15)12(8)16-10/h4-5H,3H2,1-2H3,(H,17,18).
What are the key properties of 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid?
6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid has a molecular weight of 284.14 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-ethyl-3-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 60984819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).