8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid

C12H10BrNO3 — CID 82251615

IUPAC8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C)c2c(Br)cccc2c1=O
InChIInChI=1S/C12H10BrNO3/c1-6-9(12(16)17)14(2)10-7(11(6)15)4-3-5-8(10)13/h3-5H,1-2H3,(H,16,17)
InChIKeyDBLYVUIDDTUGRO-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.31
Rot. Bonds1

About 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid

8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82251615) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82251615
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(C(=O)O)n(C)c2c(Br)cccc2c1=O
InChIInChI=1S/C12H10BrNO3/c1-6-9(12(16)17)14(2)10-7(11(6)15)4-3-5-8(10)13/h3-5H,1-2H3,(H,16,17)
InChIKeyDBLYVUIDDTUGRO-UHFFFAOYSA-N
XLogP2.31
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
CID 165474870
7-fluoro-1,3-dimethylindole-2-carboxylic acid
CID 82492326
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
(E)-3-(7-bromo-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82502304
8-bromo-4-oxo-1-propan-2-ylquinoline-3-carboxylic acid
CID 82252685
6-iodo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82252821
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
1-ethyl-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82242836
(7-bromo-1,2-dimethylindol-3-yl)methanamine
CID 82499510
1,3-dimethyl-7-piperidin-4-ylindole-2-carboxylic acid
CID 151062771
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
3-bromo-1-methylindole-2-carboxylic acid
CID 15290332

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid (CID 82251615) is 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid is Cc1c(C(=O)O)n(C)c2c(Br)cccc2c1=O.
What is the InChIKey of 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is DBLYVUIDDTUGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-6-9(12(16)17)14(2)10-7(11(6)15)4-3-5-8(10)13/h3-5H,1-2H3,(H,16,17).
What are the key properties of 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid?
8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 296.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82251615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).