3-(2,4-dimethylquinolin-7-yl)propanoic acid

C14H15NO2 — CID 82577927

IUPAC3-(2,4-dimethylquinolin-7-yl)propanoic acid
SMILESCc1cc(C)c2ccc(CCC(=O)O)cc2n1
InChIInChI=1S/C14H15NO2/c1-9-7-10(2)15-13-8-11(3-5-12(9)13)4-6-14(16)17/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)
InChIKeyCQUKJUHXVMLKLP-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.87
Rot. Bonds3

About 3-(2,4-dimethylquinolin-7-yl)propanoic acid

3-(2,4-dimethylquinolin-7-yl)propanoic acid (PubChem CID 82577927) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2,4-dimethylquinolin-7-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylquinolin-7-yl)propanoic acid
PubChem CID82577927
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-(2,4-dimethylquinolin-7-yl)propanoic acid
SMILESCc1cc(C)c2ccc(CCC(=O)O)cc2n1
InChIInChI=1S/C14H15NO2/c1-9-7-10(2)15-13-8-11(3-5-12(9)13)4-6-14(16)17/h3,5,7-8H,4,6H2,1-2H3,(H,16,17)
InChIKeyCQUKJUHXVMLKLP-UHFFFAOYSA-N
XLogP2.87
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-methylquinolin-7-yl)propanoic acid
CID 82578031
3-[3,5-dichloro-4-(2,4-dimethylquinolin-6-yl)oxyphenyl]propanoic acid
CID 68528032
3-(2-methyl-1,3-benzothiazol-5-yl)propanoic acid
CID 82286525
3-(3-methyl-1H-indol-6-yl)propanoic acid
CID 117205078
3-(5,8-dihydroxy-7-methylnaphthalen-2-yl)propanoic acid
CID 102396278
3-(3-amino-4-methylphenyl)propanoic acid
CID 46948732
3-(3-methyl-2,1-benzoxazol-5-yl)propanoic acid
CID 105457077
3-(3-methylquinolin-6-yl)propanoic acid
CID 83886586
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708
N,N-dimethyl-3-[4-methyl-2-(5-methyl-2-pyridinyl)quinolin-7-yl]propanamide
CID 170508008
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
CID 105491035
3-(4-chloro-2,8-dimethylquinolin-6-yl)propanoic acid
CID 82578034

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylquinolin-7-yl)propanoic acid?
The IUPAC name of 3-(2,4-dimethylquinolin-7-yl)propanoic acid (CID 82577927) is 3-(2,4-dimethylquinolin-7-yl)propanoic acid.
What is the SMILES notation for 3-(2,4-dimethylquinolin-7-yl)propanoic acid?
The canonical SMILES for 3-(2,4-dimethylquinolin-7-yl)propanoic acid is Cc1cc(C)c2ccc(CCC(=O)O)cc2n1.
What is the InChIKey of 3-(2,4-dimethylquinolin-7-yl)propanoic acid?
The InChIKey is CQUKJUHXVMLKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-7-10(2)15-13-8-11(3-5-12(9)13)4-6-14(16)17/h3,5,7-8H,4,6H2,1-2H3,(H,16,17).
What are the key properties of 3-(2,4-dimethylquinolin-7-yl)propanoic acid?
3-(2,4-dimethylquinolin-7-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylquinolin-7-yl)propanoic acid is sourced from PubChem (CID 82577927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).