2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid

C14H14ClNO2 — CID 84639296

IUPAC2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(Cl)nc2c(C)cc(C)cc12
InChIInChI=1S/C14H14ClNO2/c1-4-9-10-6-7(2)5-8(3)12(10)16-13(15)11(9)14(17)18/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeyZWBJKFQITVXIHB-UHFFFAOYSA-N
MW263.72 g/mol
LogP3.77
Rot. Bonds2

About 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid

2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid (PubChem CID 84639296) has the molecular formula C14H14ClNO2 and a molecular weight of 263.72 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid
PubChem CID84639296
Molecular FormulaC14H14ClNO2
Molecular Weight263.72 g/mol
Exact Mass263.07
IUPAC Name2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid
SMILESCCc1c(C(=O)O)c(Cl)nc2c(C)cc(C)cc12
InChIInChI=1S/C14H14ClNO2/c1-4-9-10-6-7(2)5-8(3)12(10)16-13(15)11(9)14(17)18/h5-6H,4H2,1-3H3,(H,17,18)
InChIKeyZWBJKFQITVXIHB-UHFFFAOYSA-N
XLogP3.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid?
The IUPAC name of 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid (CID 84639296) is 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid is CCc1c(C(=O)O)c(Cl)nc2c(C)cc(C)cc12.
What is the InChIKey of 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid?
The InChIKey is ZWBJKFQITVXIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2/c1-4-9-10-6-7(2)5-8(3)12(10)16-13(15)11(9)14(17)18/h5-6H,4H2,1-3H3,(H,17,18).
What are the key properties of 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid?
2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid has a molecular weight of 263.72 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid is sourced from PubChem (CID 84639296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).