2-(4,5,8-trimethylquinolin-2-yl)propanoic acid

C15H17NO2 — CID 84630832

IUPAC2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
SMILESCc1ccc(C)c2c(C)cc(C(C)C(=O)O)nc12
InChIInChI=1S/C15H17NO2/c1-8-5-6-9(2)14-13(8)10(3)7-12(16-14)11(4)15(17)18/h5-7,11H,1-4H3,(H,17,18)
InChIKeyGJZOXYVQMBEHGK-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.35
Rot. Bonds2

About 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid

2-(4,5,8-trimethylquinolin-2-yl)propanoic acid (PubChem CID 84630832) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
PubChem CID84630832
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
SMILESCc1ccc(C)c2c(C)cc(C(C)C(=O)O)nc12
InChIInChI=1S/C15H17NO2/c1-8-5-6-9(2)14-13(8)10(3)7-12(16-14)11(4)15(17)18/h5-7,11H,1-4H3,(H,17,18)
InChIKeyGJZOXYVQMBEHGK-UHFFFAOYSA-N
XLogP3.35
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid?
The IUPAC name of 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid (CID 84630832) is 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid.
What is the SMILES notation for 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid?
The canonical SMILES for 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid is Cc1ccc(C)c2c(C)cc(C(C)C(=O)O)nc12.
What is the InChIKey of 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid?
The InChIKey is GJZOXYVQMBEHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-8-5-6-9(2)14-13(8)10(3)7-12(16-14)11(4)15(17)18/h5-7,11H,1-4H3,(H,17,18).
What are the key properties of 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid?
2-(4,5,8-trimethylquinolin-2-yl)propanoic acid has a molecular weight of 243.31 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5,8-trimethylquinolin-2-yl)propanoic acid is sourced from PubChem (CID 84630832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).