methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate

C23H25NO3 — CID 57195280

IUPACmethyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1CC(C)C
InChIInChI=1S/C23H25NO3/c1-16(2)13-20-18(14-23(25)26-3)8-6-10-22(20)27-15-19-12-11-17-7-4-5-9-21(17)24-19/h4-12,16H,13-15H2,1-3H3
InChIKeyJSPUVEZHCUFQII-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.73
Rot. Bonds7

About methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate

methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate (PubChem CID 57195280) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate
PubChem CID57195280
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Namemethyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate
SMILESCOC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1CC(C)C
InChIInChI=1S/C23H25NO3/c1-16(2)13-20-18(14-23(25)26-3)8-6-10-22(20)27-15-19-12-11-17-7-4-5-9-21(17)24-19/h4-12,16H,13-15H2,1-3H3
InChIKeyJSPUVEZHCUFQII-UHFFFAOYSA-N
XLogP4.73
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-chloro-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087804
methyl 2-[3-propyl-4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 19087783
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
methyl 2-[4-[2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoylamino]phenyl]acetate
CID 54314430
(2-methoxy-2-oxoethyl) 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 14500249
2-[2-[[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]methoxy]phenyl]acetic acid
CID 69315108
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
2-cycloheptyl-2-[3-(2-methylpropyl)-4-(quinolin-2-ylmethoxy)phenyl]acetic acid
CID 15234441
methyl 3-[2-hydroxy-3-pyridin-4-yl-4-(quinolin-2-ylmethoxy)phenyl]propanoate
CID 140565579
3-(quinolin-2-ylmethoxy)thiophene-2-carboxylic acid
CID 63338487
methyl 5-amino-5-oxo-4-[3-oxo-7-(quinolin-2-ylmethoxy)-1H-isoindol-2-yl]pentanoate
CID 67334661

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate?
The IUPAC name of methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate (CID 57195280) is methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate is COC(=O)Cc1cccc(OCc2ccc3ccccc3n2)c1CC(C)C.
What is the InChIKey of methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate?
The InChIKey is JSPUVEZHCUFQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-16(2)13-20-18(14-23(25)26-3)8-6-10-22(20)27-15-19-12-11-17-7-4-5-9-21(17)24-19/h4-12,16H,13-15H2,1-3H3.
What are the key properties of methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate?
methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate has a molecular weight of 363.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate is sourced from PubChem (CID 57195280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).