2,7-dichloro-4-methylquinoline-3-carboxylic acid

C11H7Cl2NO2 — CID 84635838

IUPAC2,7-dichloro-4-methylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C11H7Cl2NO2/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11(15)16/h2-4H,1H3,(H,15,16)
InChIKeyWOEZCHLAXHBJGR-UHFFFAOYSA-N
MW256.09 g/mol
LogP3.55
Rot. Bonds1

About 2,7-dichloro-4-methylquinoline-3-carboxylic acid

2,7-dichloro-4-methylquinoline-3-carboxylic acid (PubChem CID 84635838) has the molecular formula C11H7Cl2NO2 and a molecular weight of 256.09 g/mol. Its IUPAC name is 2,7-dichloro-4-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2,7-dichloro-4-methylquinoline-3-carboxylic acid
PubChem CID84635838
Molecular FormulaC11H7Cl2NO2
Molecular Weight256.09 g/mol
Exact Mass254.99
IUPAC Name2,7-dichloro-4-methylquinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(Cl)nc2cc(Cl)ccc12
InChIInChI=1S/C11H7Cl2NO2/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11(15)16/h2-4H,1H3,(H,15,16)
InChIKeyWOEZCHLAXHBJGR-UHFFFAOYSA-N
XLogP3.55
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 53.55
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

Quinclorac
CID 91739
Quinmerac
CID 91749
2,6-Dimethylquinoline-3-carboxylic acid
CID 3159812
2-Methyl-3-quinolinecarboxylic acid
CID 1481999
2-Chloroquinoline-4-carboxylic acid
CID 230582
6-Chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
7-Chloroquinoline-3,8-dicarboxylic acid
CID 13309794
2,7-Dimethylquinoline-3-carboxylic acid
CID 818247
2-Chloroquinoline-3-carboxylic acid
CID 847163
6-Chloro-4-phenyl-2-(propan-2-yl)quinoline-3-carboxylic acid
CID 71556166
Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
Ethyl 2,4-dichloroquinoline-3-carboxylate
CID 228269

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-4-methylquinoline-3-carboxylic acid?
The IUPAC name of 2,7-dichloro-4-methylquinoline-3-carboxylic acid (CID 84635838) is 2,7-dichloro-4-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 2,7-dichloro-4-methylquinoline-3-carboxylic acid?
The canonical SMILES for 2,7-dichloro-4-methylquinoline-3-carboxylic acid is Cc1c(C(=O)O)c(Cl)nc2cc(Cl)ccc12.
What is the InChIKey of 2,7-dichloro-4-methylquinoline-3-carboxylic acid?
The InChIKey is WOEZCHLAXHBJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO2/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 2,7-dichloro-4-methylquinoline-3-carboxylic acid?
2,7-dichloro-4-methylquinoline-3-carboxylic acid has a molecular weight of 256.09 g/mol, XLogP of 3.55, 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-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 84635838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).