8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid

C11H8BrNO3 — CID 84642958

IUPAC8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C11H8BrNO3/c1-5-6-3-2-4-7(12)9(6)13-10(14)8(5)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyGOOYVAYSIBXUPV-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.30
Rot. Bonds1

About 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid

8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid (PubChem CID 84642958) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
PubChem CID84642958
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
SMILESCc1c(C(=O)O)c(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C11H8BrNO3/c1-5-6-3-2-4-7(12)9(6)13-10(14)8(5)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16)
InChIKeyGOOYVAYSIBXUPV-UHFFFAOYSA-N
XLogP2.30
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydroxy-4-methylquinoline-3-carboxylic acid
CID 11850972
4-(4-Bromo-2-methylanilino)-4-oxobut-2-enoic acid
CID 305284
Ethyl 6,8-dibromo-1,2-dihydro-2-oxo-3-quinolinecarboxylate
CID 1473534
6-Bromo-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
CID 54726740
4-Bromo-2-oxo-1,2-dihydroquinoline-3-carboxylic acid
CID 89656005
ethyl 6-bromo-8-fluoro-2-oxo-1H-quinoline-3-carboxylate
CID 142432270
ethyl 6-bromo-8-fluoro-2-oxo-4-propan-2-yl-1H-quinoline-3-carboxylate
CID 177188487
8-Bromo-4-methylquinolin-2(1h)-one
CID 291659
8-Methyl-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid
CID 4619127
4-((4-Bromo-2-methylphenyl)amino)-4-oxobut-2-enoic acid
CID 5383921
8-Bromoquinolonecarboxylic
CID 22690287
ethyl 8-bromo-4-(chloromethyl)-2-oxo-1H-quinoline-3-carboxylate
CID 166440252

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
The IUPAC name of 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid (CID 84642958) is 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid.
What is the SMILES notation for 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
The canonical SMILES for 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid is Cc1c(C(=O)O)c(=O)[nH]c2c(Br)cccc12.
What is the InChIKey of 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
The InChIKey is GOOYVAYSIBXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c1-5-6-3-2-4-7(12)9(6)13-10(14)8(5)11(15)16/h2-4H,1H3,(H,13,14)(H,15,16).
What are the key properties of 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid?
8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid has a molecular weight of 282.09 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid is sourced from PubChem (CID 84642958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).