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

C12H10ClNO2 — CID 1133161

IUPAC2-chloro-6,8-dimethylquinoline-3-carboxylic acid
SMILESCc1cc(C)c2nc(Cl)c(C(=O)O)cc2c1
InChIInChI=1S/C12H10ClNO2/c1-6-3-7(2)10-8(4-6)5-9(12(15)16)11(13)14-10/h3-5H,1-2H3,(H,15,16)
InChIKeyGXNYWYKOVJHMJD-UHFFFAOYSA-N
MW235.67 g/mol
LogP3.20
Rot. Bonds1

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

2-chloro-6,8-dimethylquinoline-3-carboxylic acid (PubChem CID 1133161) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-6,8-dimethylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6,8-dimethylquinoline-3-carboxylic acid
PubChem CID1133161
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-chloro-6,8-dimethylquinoline-3-carboxylic acid
SMILESCc1cc(C)c2nc(Cl)c(C(=O)O)cc2c1
InChIInChI=1S/C12H10ClNO2/c1-6-3-7(2)10-8(4-6)5-9(12(15)16)11(13)14-10/h3-5H,1-2H3,(H,15,16)
InChIKeyGXNYWYKOVJHMJD-UHFFFAOYSA-N
XLogP3.20
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 53.20
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-6,8-dimethylquinoline-3-carboxylic acid?
The IUPAC name of 2-chloro-6,8-dimethylquinoline-3-carboxylic acid (CID 1133161) is 2-chloro-6,8-dimethylquinoline-3-carboxylic acid.
What is the SMILES notation for 2-chloro-6,8-dimethylquinoline-3-carboxylic acid?
The canonical SMILES for 2-chloro-6,8-dimethylquinoline-3-carboxylic acid is Cc1cc(C)c2nc(Cl)c(C(=O)O)cc2c1.
What is the InChIKey of 2-chloro-6,8-dimethylquinoline-3-carboxylic acid?
The InChIKey is GXNYWYKOVJHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-6-3-7(2)10-8(4-6)5-9(12(15)16)11(13)14-10/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-6,8-dimethylquinoline-3-carboxylic acid?
2-chloro-6,8-dimethylquinoline-3-carboxylic acid has a molecular weight of 235.67 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,8-dimethylquinoline-3-carboxylic acid is sourced from PubChem (CID 1133161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).