methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate

C21H19NO3 — CID 10472005

IUPACmethyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(/C=C/c2ccc3cc(C)ccc3n2)c1
InChIInChI=1S/C21H19NO3/c1-15-6-11-20-17(12-15)8-10-18(22-20)9-7-16-4-3-5-19(13-16)25-14-21(23)24-2/h3-13H,14H2,1-2H3/b9-7+
InChIKeyUOONJQMNLJHZMN-VQHVLOKHSA-N
MW333.39 g/mol
LogP4.27
Rot. Bonds5

About methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate

methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate (PubChem CID 10472005) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate
PubChem CID10472005
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Namemethyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(/C=C/c2ccc3cc(C)ccc3n2)c1
InChIInChI=1S/C21H19NO3/c1-15-6-11-20-17(12-15)8-10-18(22-20)9-7-16-4-3-5-19(13-16)25-14-21(23)24-2/h3-13H,14H2,1-2H3/b9-7+
InChIKeyUOONJQMNLJHZMN-VQHVLOKHSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethacridine Lactate
CID 15789
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
Propanoic acid, 2-hydroxy-, compd. with 7-ethoxy-3,9-acridinediamine, hydrate (1:1:1)
CID 165457
6-Ethoxy-2-methylquinoline
CID 81118
7-(3-Methoxyphenyl)-2-methylquinoline
CID 44432660
4-[1-(4-Methoxyphenyl)ethenyl]-2-methylquinoline
CID 91971313
2-(6-methoxy-2-methylquinolin-4-yl)oxy-N-(4-pentylphenyl)acetamide
CID 137653074
N-(4-ethoxyphenyl)-2,8-dimethylquinolin-4-amine
CID 715734
8-(Benzyloxy)-2-methylquinoline
CID 737473
N-(4-ethoxyphenyl)-2,6-dimethylquinolin-4-amine
CID 798218
4-[6-(2-Fluoroethoxy)-2-quinolinyl]benzenamine
CID 76023983
Galipine
CID 68235

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate (CID 10472005) is methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate is COC(=O)COc1cccc(/C=C/c2ccc3cc(C)ccc3n2)c1.
What is the InChIKey of methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate?
The InChIKey is UOONJQMNLJHZMN-VQHVLOKHSA-N. The full InChI is InChI=1S/C21H19NO3/c1-15-6-11-20-17(12-15)8-10-18(22-20)9-7-16-4-3-5-19(13-16)25-14-21(23)24-2/h3-13H,14H2,1-2H3/b9-7+.
What are the key properties of methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate?
methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate has a molecular weight of 333.39 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(E)-2-(6-methylquinolin-2-yl)ethenyl]phenoxy]acetate is sourced from PubChem (CID 10472005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).