3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid

C13H12BrNO3 — CID 84645270

IUPAC3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C13H12BrNO3/c1-7-8-3-2-4-10(14)12(8)15-13(18)9(7)5-6-11(16)17/h2-4H,5-6H2,1H3,(H,15,18)(H,16,17)
InChIKeySRUCFZADTSIYRN-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.62
Rot. Bonds3

About 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid

3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid (PubChem CID 84645270) has the molecular formula C13H12BrNO3 and a molecular weight of 310.15 g/mol. Its IUPAC name is 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
PubChem CID84645270
Molecular FormulaC13H12BrNO3
Molecular Weight310.15 g/mol
Exact Mass309.00
IUPAC Name3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid
SMILESCc1c(CCC(=O)O)c(=O)[nH]c2c(Br)cccc12
InChIInChI=1S/C13H12BrNO3/c1-7-8-3-2-4-10(14)12(8)15-13(18)9(7)5-6-11(16)17/h2-4H,5-6H2,1H3,(H,15,18)(H,16,17)
InChIKeySRUCFZADTSIYRN-UHFFFAOYSA-N
XLogP2.62
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642958
4-(7-bromo-2-methyl-1H-indol-3-yl)butan-2-one
CID 82502192
7-bromo-3-(3-hydroxypropyl)-1H-indole-2-carboxylic acid
CID 158742788
8-bromo-2,3-dimethyl-1H-quinolin-4-one
CID 60995686
3-(2-amino-6-bromophenyl)propanoic acid
CID 83853286
3-(8-bromo-3-ethoxycarbonyl-2-methylquinolin-4-yl)propanoic acid
CID 167448655
3-[2-bromo-6-(methoxymethyl)phenyl]propanoic acid
CID 117435039
3-[2-(4-fluorophenyl)-7-methyl-1H-indol-3-yl]propanoic acid
CID 171921907
3-(2-benzyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)propanoic acid
CID 135973619
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
3-[2-(4-bromophenyl)-7-chloro-1H-indol-3-yl]propanoic acid
CID 165440969
2-[7-bromo-2-(4-chlorophenyl)-1H-indol-3-yl]acetic acid
CID 43542803

Frequently Asked Questions

What is the IUPAC name of 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The IUPAC name of 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid (CID 84645270) is 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid.
What is the SMILES notation for 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The canonical SMILES for 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid is Cc1c(CCC(=O)O)c(=O)[nH]c2c(Br)cccc12.
What is the InChIKey of 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
The InChIKey is SRUCFZADTSIYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO3/c1-7-8-3-2-4-10(14)12(8)15-13(18)9(7)5-6-11(16)17/h2-4H,5-6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid?
3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid has a molecular weight of 310.15 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-bromo-4-methyl-2-oxo-1H-quinolin-3-yl)propanoic acid is sourced from PubChem (CID 84645270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).