6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid

C12H9Br2NO3 — CID 103083182

IUPAC6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid
SMILESCOc1c(C)nc2c(Br)cc(Br)cc2c1C(=O)O
InChIInChI=1S/C12H9Br2NO3/c1-5-11(18-2)9(12(16)17)7-3-6(13)4-8(14)10(7)15-5/h3-4H,1-2H3,(H,16,17)
InChIKeyRCMZPKJNKBVQAC-UHFFFAOYSA-N
MW375.02 g/mol
LogP3.78
Rot. Bonds2

About 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid

6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid (PubChem CID 103083182) has the molecular formula C12H9Br2NO3 and a molecular weight of 375.02 g/mol. Its IUPAC name is 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid
PubChem CID103083182
Molecular FormulaC12H9Br2NO3
Molecular Weight375.02 g/mol
Exact Mass372.89
IUPAC Name6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid
SMILESCOc1c(C)nc2c(Br)cc(Br)cc2c1C(=O)O
InChIInChI=1S/C12H9Br2NO3/c1-5-11(18-2)9(12(16)17)7-3-6(13)4-8(14)10(7)15-5/h3-4H,1-2H3,(H,16,17)
InChIKeyRCMZPKJNKBVQAC-UHFFFAOYSA-N
XLogP3.78
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.02
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid?
The IUPAC name of 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid (CID 103083182) is 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid.
What is the SMILES notation for 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid?
The canonical SMILES for 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid is COc1c(C)nc2c(Br)cc(Br)cc2c1C(=O)O.
What is the InChIKey of 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid?
The InChIKey is RCMZPKJNKBVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2NO3/c1-5-11(18-2)9(12(16)17)7-3-6(13)4-8(14)10(7)15-5/h3-4H,1-2H3,(H,16,17).
What are the key properties of 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid?
6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid has a molecular weight of 375.02 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-3-methoxy-2-methylquinoline-4-carboxylic acid is sourced from PubChem (CID 103083182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).