2-(2-methylquinolin-4-yl)oxyacetic acid

C12H11NO3 — CID 658584

IUPAC2-(2-methylquinolin-4-yl)oxyacetic acid
SMILESCc1cc(OCC(=O)O)c2ccccc2n1
InChIInChI=1S/C12H11NO3/c1-8-6-11(16-7-12(14)15)9-4-2-3-5-10(9)13-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyPQNKENIWGLHVKE-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.01
Rot. Bonds3

About 2-(2-methylquinolin-4-yl)oxyacetic acid

2-(2-methylquinolin-4-yl)oxyacetic acid (PubChem CID 658584) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(2-methylquinolin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(2-methylquinolin-4-yl)oxyacetic acid
PubChem CID658584
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(2-methylquinolin-4-yl)oxyacetic acid
SMILESCc1cc(OCC(=O)O)c2ccccc2n1
InChIInChI=1S/C12H11NO3/c1-8-6-11(16-7-12(14)15)9-4-2-3-5-10(9)13-8/h2-6H,7H2,1H3,(H,14,15)
InChIKeyPQNKENIWGLHVKE-UHFFFAOYSA-N
XLogP2.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxycarbonylquinolin-4-yl)oxyacetic acid
CID 68600255
2-(6,7-dimethoxy-2-methylquinolin-4-yl)oxyacetic acid
CID 53264216
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
N-(3-methoxyphenyl)-2-(2-methylquinolin-4-yl)oxyacetamide
CID 99835658
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
4-(3-chloroprop-2-enoxy)-2-methylquinoline
CID 165347693
2-(2-methylquinolin-4-yl)oxybenzoic acid
CID 61395430
2-(6-methoxy-2-methylquinolin-4-yl)oxy-1-phenylethanone
CID 162664426
2-(2-methylcinnolin-2-ium-4-yl)oxyacetic acid chloride
CID 164953358
ethyl 2-methyl-2-(2-methylquinolin-4-yl)oxypropanoate
CID 142191892
N-[(Z)-1H-indol-3-ylmethylideneamino]-2-(2-methylquinolin-4-yl)oxyacetamide
CID 136700927
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylquinolin-4-yl)oxyacetic acid?
The IUPAC name of 2-(2-methylquinolin-4-yl)oxyacetic acid (CID 658584) is 2-(2-methylquinolin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(2-methylquinolin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(2-methylquinolin-4-yl)oxyacetic acid is Cc1cc(OCC(=O)O)c2ccccc2n1.
What is the InChIKey of 2-(2-methylquinolin-4-yl)oxyacetic acid?
The InChIKey is PQNKENIWGLHVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8-6-11(16-7-12(14)15)9-4-2-3-5-10(9)13-8/h2-6H,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-methylquinolin-4-yl)oxyacetic acid?
2-(2-methylquinolin-4-yl)oxyacetic acid has a molecular weight of 217.22 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylquinolin-4-yl)oxyacetic acid is sourced from PubChem (CID 658584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).