methyl 2-quinolin-4-yloxyacetate

C12H11NO3 — CID 151479480

IUPACmethyl 2-quinolin-4-yloxyacetate
SMILESCOC(=O)COc1ccnc2ccccc12
InChIInChI=1S/C12H11NO3/c1-15-12(14)8-16-11-6-7-13-10-5-3-2-4-9(10)11/h2-7H,8H2,1H3
InChIKeyPMDXTSYGKULDCK-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.79
Rot. Bonds3

About methyl 2-quinolin-4-yloxyacetate

methyl 2-quinolin-4-yloxyacetate (PubChem CID 151479480) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is methyl 2-quinolin-4-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-quinolin-4-yloxyacetate
PubChem CID151479480
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Namemethyl 2-quinolin-4-yloxyacetate
SMILESCOC(=O)COc1ccnc2ccccc12
InChIInChI=1S/C12H11NO3/c1-15-12(14)8-16-11-6-7-13-10-5-3-2-4-9(10)11/h2-7H,8H2,1H3
InChIKeyPMDXTSYGKULDCK-UHFFFAOYSA-N
XLogP1.79
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-quinolin-4-yloxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[4-[4-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]naphthalen-1-yl]oxyacetate
CID 172816463
quinolin-4-yl propanoate
CID 174834385
1-(4,4-dimethyl-1,3-oxazolidin-3-yl)-2-quinolin-4-yloxyethanone
CID 141217855
2-(2-methoxyphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 71979334
4-O-tert-butyl 1-O-quinolin-4-yl butanedioate
CID 175434641
methyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 4779140
methyl 4-(quinolin-4-ylmethylamino)butanoate
CID 63867501
1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141217853
methyl 2-pyridin-2-yloxyacetate
CID 45091085
4-phenylmethoxyquinoline
CID 11299312
CID 58544147
CID 58544147
4-methoxyquinoline;4-methylquinoline
CID 71009048

Frequently Asked Questions

What is the IUPAC name of methyl 2-quinolin-4-yloxyacetate?
The IUPAC name of methyl 2-quinolin-4-yloxyacetate (CID 151479480) is methyl 2-quinolin-4-yloxyacetate.
What is the SMILES notation for methyl 2-quinolin-4-yloxyacetate?
The canonical SMILES for methyl 2-quinolin-4-yloxyacetate is COC(=O)COc1ccnc2ccccc12.
What is the InChIKey of methyl 2-quinolin-4-yloxyacetate?
The InChIKey is PMDXTSYGKULDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-15-12(14)8-16-11-6-7-13-10-5-3-2-4-9(10)11/h2-7H,8H2,1H3.
What are the key properties of methyl 2-quinolin-4-yloxyacetate?
methyl 2-quinolin-4-yloxyacetate has a molecular weight of 217.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-quinolin-4-yloxyacetate is sourced from PubChem (CID 151479480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).