2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid

C15H17NO3 — CID 84637663

IUPAC2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
SMILESCOc1ccc(C)c2c(C)cc(C(C)C(=O)O)nc12
InChIInChI=1S/C15H17NO3/c1-8-5-6-12(19-4)14-13(8)9(2)7-11(16-14)10(3)15(17)18/h5-7,10H,1-4H3,(H,17,18)
InChIKeyYIOPRZSLBCVXPQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.05
Rot. Bonds3

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

2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid (PubChem CID 84637663) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
PubChem CID84637663
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid
SMILESCOc1ccc(C)c2c(C)cc(C(C)C(=O)O)nc12
InChIInChI=1S/C15H17NO3/c1-8-5-6-12(19-4)14-13(8)9(2)7-11(16-14)10(3)15(17)18/h5-7,10H,1-4H3,(H,17,18)
InChIKeyYIOPRZSLBCVXPQ-UHFFFAOYSA-N
XLogP3.05
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4,5,8-trimethylquinolin-2-yl)propanoic acid
CID 84630832
2-chloro-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184159
1-(5-chloro-8-methoxy-4-methylquinolin-2-yl)ethanamine
CID 82575794
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
2-(8-chloro-5-methoxyquinolin-2-yl)propanoic acid
CID 84640034
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
2-tert-butyl-8-methoxy-5-methylquinoline-4-carboxylic acid
CID 82184134
2-(6-methoxy-2-methylpyrimidin-4-yl)propanoic acid
CID 126973200
N-ethyl-8-methoxy-5-methyl-2-propan-2-ylquinolin-4-amine
CID 55194431
[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
CID 62890904
8-methoxy-2,4-dimethylquinoline-5-carboxamide
CID 82573973
2-(5-chloro-8-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574937

Frequently Asked Questions

What is the IUPAC name of 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid?
The IUPAC name of 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid (CID 84637663) is 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid.
What is the SMILES notation for 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid?
The canonical SMILES for 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid is COc1ccc(C)c2c(C)cc(C(C)C(=O)O)nc12.
What is the InChIKey of 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid?
The InChIKey is YIOPRZSLBCVXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-8-5-6-12(19-4)14-13(8)9(2)7-11(16-14)10(3)15(17)18/h5-7,10H,1-4H3,(H,17,18).
What are the key properties of 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid?
2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid has a molecular weight of 259.31 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methoxy-4,5-dimethylquinolin-2-yl)propanoic acid is sourced from PubChem (CID 84637663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).