2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid

C14H14FNO3 — CID 84639153

IUPAC2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
SMILESCn1c(=O)c(C(C)(C)C(=O)O)cc2cccc(F)c21
InChIInChI=1S/C14H14FNO3/c1-14(2,13(18)19)9-7-8-5-4-6-10(15)11(8)16(3)12(9)17/h4-7H,1-3H3,(H,18,19)
InChIKeyGJAIRUJYWGTPCK-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.04
Rot. Bonds2

About 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid

2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid (PubChem CID 84639153) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
PubChem CID84639153
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
SMILESCn1c(=O)c(C(C)(C)C(=O)O)cc2cccc(F)c21
InChIInChI=1S/C14H14FNO3/c1-14(2,13(18)19)9-7-8-5-4-6-10(15)11(8)16(3)12(9)17/h4-7H,1-3H3,(H,18,19)
InChIKeyGJAIRUJYWGTPCK-UHFFFAOYSA-N
XLogP2.04
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,2-dimethylindol-7-yl)-2-methylpropanoic acid
CID 117205205
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84646109
2-methyl-2-[1-methyl-7-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117196565
2-(1-ethyl-2-methylindol-7-yl)-2-methylpropanoic acid
CID 117205210
methyl 2-amino-2-(7-fluoro-1-methylindol-2-yl)acetate
CID 115072345
2-(1-ethyl-7-fluoroindol-3-yl)-2-methylpropanoic acid
CID 117197726
sodium;2-(2-fluorophenyl)-2-methylpropanoic acid;hydride
CID 173208060
2-(4-fluoro-1-benzofuran-3-yl)-2-methylpropanoic acid
CID 117119169
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
CID 115042327
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 114732727
3-(8-bromo-1-methyl-2-oxoquinolin-3-yl)-2,2-dimethylpropanoic acid
CID 84646654
7-fluoro-2-isocyanato-1-methylindole
CID 83817920

Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid (CID 84639153) is 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid is Cn1c(=O)c(C(C)(C)C(=O)O)cc2cccc(F)c21.
What is the InChIKey of 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
The InChIKey is GJAIRUJYWGTPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-14(2,13(18)19)9-7-8-5-4-6-10(15)11(8)16(3)12(9)17/h4-7H,1-3H3,(H,18,19).
What are the key properties of 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid?
2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid has a molecular weight of 263.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 84639153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).