4,6-dichloro-7-methoxyquinoline-2-carboxylic acid

C11H7Cl2NO3 — CID 107623316

IUPAC4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)cc(Cl)c2cc1Cl
InChIInChI=1S/C11H7Cl2NO3/c1-17-10-4-8-5(2-7(10)13)6(12)3-9(14-8)11(15)16/h2-4H,1H3,(H,15,16)
InChIKeyPWSMRDDSMXSLIW-UHFFFAOYSA-N
MW272.09 g/mol
LogP3.25
Rot. Bonds2

About 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid

4,6-dichloro-7-methoxyquinoline-2-carboxylic acid (PubChem CID 107623316) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid.

Molecular Properties

Compound Name4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
PubChem CID107623316
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Name4,6-dichloro-7-methoxyquinoline-2-carboxylic acid
SMILESCOc1cc2nc(C(=O)O)cc(Cl)c2cc1Cl
InChIInChI=1S/C11H7Cl2NO3/c1-17-10-4-8-5(2-7(10)13)6(12)3-9(14-8)11(15)16/h2-4H,1H3,(H,15,16)
InChIKeyPWSMRDDSMXSLIW-UHFFFAOYSA-N
XLogP3.25
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-6,7-dimethoxyquinoline-2-carboxylate
CID 63376981
7-chloro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942140
4-amino-6,7-dimethoxyquinoline-2-carboxylic acid
CID 84632987
methyl 4,6,7-trichloroquinoline-2-carboxylate
CID 34173870
4,7-dichloroquinoline-2-carboxylic acid
CID 21426380
7-chloro-2-(dimethylamino)-6-methoxyquinoline-4-carboxylic acid
CID 84642722
3-bromo-4,6-dichloro-7-methoxy-2-methylquinoline
CID 157046873
7-fluoro-4-methoxy-6-methylquinoline-2-carboxylic acid
CID 102942124
4-chloro-6,7-dimethoxy-2-methylquinoline
CID 39732475
7-chloro-4-methoxy-8-methylquinoline-2-carboxylic acid
CID 102941914
methyl 4-chloro-6,7-difluoroquinoline-2-carboxylate
CID 63376942
4-methoxy-6-nitroquinoline-2-carboxylic acid
CID 676850

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid?
The IUPAC name of 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid (CID 107623316) is 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid.
What is the SMILES notation for 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid?
The canonical SMILES for 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid is COc1cc2nc(C(=O)O)cc(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid?
The InChIKey is PWSMRDDSMXSLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c1-17-10-4-8-5(2-7(10)13)6(12)3-9(14-8)11(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid?
4,6-dichloro-7-methoxyquinoline-2-carboxylic acid has a molecular weight of 272.09 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-7-methoxyquinoline-2-carboxylic acid is sourced from PubChem (CID 107623316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).