2-(4-methylquinolin-8-yl)oxypropanoic acid

C13H13NO3 — CID 82580360

IUPAC2-(4-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccnc2c(OC(C)C(=O)O)cccc12
InChIInChI=1S/C13H13NO3/c1-8-6-7-14-12-10(8)4-3-5-11(12)17-9(2)13(15)16/h3-7,9H,1-2H3,(H,15,16)
InChIKeyIMVQOTXBGWLLJB-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.40
Rot. Bonds3

About 2-(4-methylquinolin-8-yl)oxypropanoic acid

2-(4-methylquinolin-8-yl)oxypropanoic acid (PubChem CID 82580360) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(4-methylquinolin-8-yl)oxypropanoic acid.

Molecular Properties

Compound Name2-(4-methylquinolin-8-yl)oxypropanoic acid
PubChem CID82580360
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2-(4-methylquinolin-8-yl)oxypropanoic acid
SMILESCc1ccnc2c(OC(C)C(=O)O)cccc12
InChIInChI=1S/C13H13NO3/c1-8-6-7-14-12-10(8)4-3-5-11(12)17-9(2)13(15)16/h3-7,9H,1-2H3,(H,15,16)
InChIKeyIMVQOTXBGWLLJB-UHFFFAOYSA-N
XLogP2.40
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methylquinolin-8-yl)oxypropanoic acid
CID 30048247
4-methylquinoline-8-carboxylic acid
CID 12597844
2-(2-fluoro-3-methylphenoxy)propanoic acid
CID 107655000
2-(1,3-benzothiazol-4-yloxy)propanoic acid
CID 82190108
aluminum tris(4-methylquinoline-8-carboxylate)
CID 23160254
1-(4-methylquinolin-8-yl)ethanol
CID 82575957
2-isoquinolin-8-yloxypropanoic acid
CID 82580347
2-(4-methylquinolin-8-yl)oxyacetonitrile
CID 71319986
2-[(2-propan-2-yl-1,3-benzothiazol-4-yl)oxy]propanoic acid
CID 82190178
(2S)-2-(1H-indazol-4-yloxy)propanoic acid
CID 137347017
(2R)-2-(2,3-dimethylphenoxy)-N-(8-methylquinolin-5-yl)propanamide
CID 38950691
2-(5-bromo-4-methylquinolin-8-yl)oxypropanamide
CID 82580460

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylquinolin-8-yl)oxypropanoic acid?
The IUPAC name of 2-(4-methylquinolin-8-yl)oxypropanoic acid (CID 82580360) is 2-(4-methylquinolin-8-yl)oxypropanoic acid.
What is the SMILES notation for 2-(4-methylquinolin-8-yl)oxypropanoic acid?
The canonical SMILES for 2-(4-methylquinolin-8-yl)oxypropanoic acid is Cc1ccnc2c(OC(C)C(=O)O)cccc12.
What is the InChIKey of 2-(4-methylquinolin-8-yl)oxypropanoic acid?
The InChIKey is IMVQOTXBGWLLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-6-7-14-12-10(8)4-3-5-11(12)17-9(2)13(15)16/h3-7,9H,1-2H3,(H,15,16).
What are the key properties of 2-(4-methylquinolin-8-yl)oxypropanoic acid?
2-(4-methylquinolin-8-yl)oxypropanoic acid has a molecular weight of 231.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylquinolin-8-yl)oxypropanoic acid is sourced from PubChem (CID 82580360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).