(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate

C21H19NO5 — CID 14500249

IUPAC(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H19NO5/c1-25-21(24)14-27-20(23)12-15-6-10-18(11-7-15)26-13-17-9-8-16-4-2-3-5-19(16)22-17/h2-11H,12-14H2,1H3
InChIKeyQSGHMKDJUOSUNS-UHFFFAOYSA-N
MW365.39 g/mol
LogP3.07
Rot. Bonds7

About (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate

(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate (PubChem CID 14500249) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
PubChem CID14500249
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Name(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C21H19NO5/c1-25-21(24)14-27-20(23)12-15-6-10-18(11-7-15)26-13-17-9-8-16-4-2-3-5-19(16)22-17/h2-11H,12-14H2,1H3
InChIKeyQSGHMKDJUOSUNS-UHFFFAOYSA-N
XLogP3.07
TPSA74.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate 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

cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
methyl 2-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]oxycyclopropene-1-carboxylate
CID 118873800
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
CID 67760741
methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
CID 54314430
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087783
[4-(quinolin-2-ylmethoxy)phenyl]methyl methanesulfonate
CID 152710097
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate (CID 14500249) is (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate is COC(=O)COC(=O)Cc1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
The InChIKey is QSGHMKDJUOSUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-25-21(24)14-27-20(23)12-15-6-10-18(11-7-15)26-13-17-9-8-16-4-2-3-5-19(16)22-17/h2-11H,12-14H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate?
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate has a molecular weight of 365.39 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 14500249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).