2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid

C14H14BrNO3 — CID 84646109

IUPAC2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
SMILESCn1c(=O)c(C(C)(C)C(=O)O)cc2cc(Br)ccc21
InChIInChI=1S/C14H14BrNO3/c1-14(2,13(18)19)10-7-8-6-9(15)4-5-11(8)16(3)12(10)17/h4-7H,1-3H3,(H,18,19)
InChIKeyCGCYMFPQSDIKLT-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.66
Rot. Bonds2

About 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid

2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid (PubChem CID 84646109) has the molecular formula C14H14BrNO3 and a molecular weight of 324.17 g/mol. Its IUPAC name is 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
PubChem CID84646109
Molecular FormulaC14H14BrNO3
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
SMILESCn1c(=O)c(C(C)(C)C(=O)O)cc2cc(Br)ccc21
InChIInChI=1S/C14H14BrNO3/c1-14(2,13(18)19)10-7-8-6-9(15)4-5-11(8)16(3)12(10)17/h4-7H,1-3H3,(H,18,19)
InChIKeyCGCYMFPQSDIKLT-UHFFFAOYSA-N
XLogP2.66
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid (CID 84646109) is 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid is Cn1c(=O)c(C(C)(C)C(=O)O)cc2cc(Br)ccc21.
What is the InChIKey of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
The InChIKey is CGCYMFPQSDIKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO3/c1-14(2,13(18)19)10-7-8-6-9(15)4-5-11(8)16(3)12(10)17/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid has a molecular weight of 324.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84646109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).