3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid

C15H16BrNO3 — CID 84646654

IUPAC3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
SMILESCn1c(=O)c(CC(C)(C)C(=O)O)cc2cccc(Br)c21
InChIInChI=1S/C15H16BrNO3/c1-15(2,14(19)20)8-10-7-9-5-4-6-11(16)12(9)17(3)13(10)18/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyFUIRMXNJMWQESA-UHFFFAOYSA-N
MW338.20 g/mol
LogP2.95
Rot. Bonds3

About 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid

3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid (PubChem CID 84646654) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
PubChem CID84646654
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
SMILESCn1c(=O)c(CC(C)(C)C(=O)O)cc2cccc(Br)c21
InChIInChI=1S/C15H16BrNO3/c1-15(2,14(19)20)8-10-7-9-5-4-6-11(16)12(9)17(3)13(10)18/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyFUIRMXNJMWQESA-UHFFFAOYSA-N
XLogP2.95
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(8-bromo-2-oxo-1H-quinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646116
3-(7-bromo-1-methylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84645356
N-[(7-bromo-1-methylindol-2-yl)methyl]hydroxylamine
CID 82665313
2-amino-1-(7-bromo-1-methylindol-2-yl)ethanone
CID 82379701
3-(7-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117196879
2,2-dimethyl-3-(2-oxo-1H-quinolin-3-yl)propanoic acid
CID 84631810
3-(2,2-dimethylpropyl)-1-methylquinolin-2-one
CID 59736944
2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84639153
3-(5-bromo-1-methylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117195254
2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-4-yl)propanoic acid
CID 117370248
2,2-dimethyl-3-(1-methyl-2-oxo-3H-indol-7-yl)propanoic acid
CID 117370249
8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
CID 165474870

Frequently Asked Questions

What is the IUPAC name of 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid (CID 84646654) is 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid is Cn1c(=O)c(CC(C)(C)C(=O)O)cc2cccc(Br)c21.
What is the InChIKey of 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid?
The InChIKey is FUIRMXNJMWQESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-15(2,14(19)20)8-10-7-9-5-4-6-11(16)12(9)17(3)13(10)18/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid?
3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid has a molecular weight of 338.20 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 84646654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).