methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate

C17H21NO3 — CID 82575144

IUPACmethyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
SMILESCOC(=O)Cc1cc(C)c2cc(OCC(C)C)ccc2n1
InChIInChI=1S/C17H21NO3/c1-11(2)10-21-14-5-6-16-15(9-14)12(3)7-13(18-16)8-17(19)20-4/h5-7,9,11H,8,10H2,1-4H3
InChIKeyBOAXBWBJJVBDFL-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.29
Rot. Bonds5

About methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate

methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate (PubChem CID 82575144) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
PubChem CID82575144
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
SMILESCOC(=O)Cc1cc(C)c2cc(OCC(C)C)ccc2n1
InChIInChI=1S/C17H21NO3/c1-11(2)10-21-14-5-6-16-15(9-14)12(3)7-13(18-16)8-17(19)20-4/h5-7,9,11H,8,10H2,1-4H3
InChIKeyBOAXBWBJJVBDFL-UHFFFAOYSA-N
XLogP3.29
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 82573659
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine
CID 82577540
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]ethanamine
CID 82575578
4-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]butan-1-amine
CID 82577769
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128
4-methyl-6-(2-methylpropoxy)quinoline
CID 82580912
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
(6-methoxy-4-methylquinolin-2-yl)methanol
CID 82576399
1-[2-methyl-6-(2-methylpropoxy)quinolin-4-yl]ethanamine
CID 82575836

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate?
The IUPAC name of methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate (CID 82575144) is methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate is COC(=O)Cc1cc(C)c2cc(OCC(C)C)ccc2n1.
What is the InChIKey of methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate?
The InChIKey is BOAXBWBJJVBDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-11(2)10-21-14-5-6-16-15(9-14)12(3)7-13(18-16)8-17(19)20-4/h5-7,9,11H,8,10H2,1-4H3.
What are the key properties of methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate?
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate has a molecular weight of 287.36 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate is sourced from PubChem (CID 82575144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).