5-bromo-2,3-dimethylquinoline-4-carboxylic acid

C12H10BrNO2 — CID 61355427

IUPAC5-bromo-2,3-dimethylquinoline-4-carboxylic acid
SMILESCc1nc2cccc(Br)c2c(C(=O)O)c1C
InChIInChI=1S/C12H10BrNO2/c1-6-7(2)14-9-5-3-4-8(13)11(9)10(6)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyMQQANMJKSVZVCC-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.31
Rot. Bonds1

About 5-bromo-2,3-dimethylquinoline-4-carboxylic acid

5-bromo-2,3-dimethylquinoline-4-carboxylic acid (PubChem CID 61355427) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 5-bromo-2,3-dimethylquinoline-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2,3-dimethylquinoline-4-carboxylic acid
PubChem CID61355427
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name5-bromo-2,3-dimethylquinoline-4-carboxylic acid
SMILESCc1nc2cccc(Br)c2c(C(=O)O)c1C
InChIInChI=1S/C12H10BrNO2/c1-6-7(2)14-9-5-3-4-8(13)11(9)10(6)12(15)16/h3-5H,1-2H3,(H,15,16)
InChIKeyMQQANMJKSVZVCC-UHFFFAOYSA-N
XLogP3.31
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dimethylquinoline-4-carboxylic acid?
The IUPAC name of 5-bromo-2,3-dimethylquinoline-4-carboxylic acid (CID 61355427) is 5-bromo-2,3-dimethylquinoline-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2,3-dimethylquinoline-4-carboxylic acid?
The canonical SMILES for 5-bromo-2,3-dimethylquinoline-4-carboxylic acid is Cc1nc2cccc(Br)c2c(C(=O)O)c1C.
What is the InChIKey of 5-bromo-2,3-dimethylquinoline-4-carboxylic acid?
The InChIKey is MQQANMJKSVZVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-6-7(2)14-9-5-3-4-8(13)11(9)10(6)12(15)16/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-bromo-2,3-dimethylquinoline-4-carboxylic acid?
5-bromo-2,3-dimethylquinoline-4-carboxylic acid has a molecular weight of 280.12 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dimethylquinoline-4-carboxylic acid is sourced from PubChem (CID 61355427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).