2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid

C12H9Cl2NO2 — CID 84641441

IUPAC2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(Cl)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C12H9Cl2NO2/c1-5-7-3-4-8(13)6(2)10(7)15-11(14)9(5)12(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyAJIIUTCTJDCRIH-UHFFFAOYSA-N
MW270.12 g/mol
LogP3.86
Rot. Bonds1

About 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid

2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid (PubChem CID 84641441) has the molecular formula C12H9Cl2NO2 and a molecular weight of 270.12 g/mol. Its IUPAC name is 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
PubChem CID84641441
Molecular FormulaC12H9Cl2NO2
Molecular Weight270.12 g/mol
Exact Mass269.00
IUPAC Name2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(Cl)nc2c(C)c(Cl)ccc12
InChIInChI=1S/C12H9Cl2NO2/c1-5-7-3-4-8(13)6(2)10(7)15-11(14)9(5)12(16)17/h3-4H,1-2H3,(H,16,17)
InChIKeyAJIIUTCTJDCRIH-UHFFFAOYSA-N
XLogP3.86
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.12
LogP ≤ 53.86
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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Related Compounds

2,7-dichloro-4-methylquinoline-3-carboxylic acid
CID 84635838
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
2-(7-chloro-4,8-dimethylquinolin-2-yl)-2-methylpropanoic acid
CID 84642426
7-chloro-8-methyl-2-(methylaminomethyl)quinoline-4-carboxylic acid
CID 84639663
(7-chloro-2,8-dimethylquinolin-4-yl)boronic acid
CID 75485966
7-chloro-2-(5-chlorothiophen-2-yl)-8-methylquinoline-4-carboxylic acid
CID 4016668
7-chloro-2,4,8-trimethylquinoline;ethane
CID 170974379
6-chloro-1-methylisoquinoline-5-carboxylic acid
CID 115033045
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
4-tert-butyl-N-(7-chloro-2,8-dimethylquinolin-4-yl)benzamide
CID 43860369
2-chloro-4-ethyl-6,8-dimethylquinoline-3-carboxylic acid
CID 84639296
5,6-dimethyl-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 60985060

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid?
The IUPAC name of 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid (CID 84641441) is 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid.
What is the SMILES notation for 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid?
The canonical SMILES for 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid is Cc1c(C(=O)O)c(Cl)nc2c(C)c(Cl)ccc12.
What is the InChIKey of 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid?
The InChIKey is AJIIUTCTJDCRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2/c1-5-7-3-4-8(13)6(2)10(7)15-11(14)9(5)12(16)17/h3-4H,1-2H3,(H,16,17).
What are the key properties of 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid?
2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid has a molecular weight of 270.12 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-4,8-dimethylquinoline-3-carboxylic acid is sourced from PubChem (CID 84641441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).