methyl 2-(4,6-dimethylquinolin-2-yl)acetate

C14H15NO2 — CID 82575101

IUPACmethyl 2-(4,6-dimethylquinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C14H15NO2/c1-9-4-5-13-12(6-9)10(2)7-11(15-13)8-14(16)17-3/h4-7H,8H2,1-3H3
InChIKeySVHRKZPLQAFNRK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.57
Rot. Bonds2

About methyl 2-(4,6-dimethylquinolin-2-yl)acetate

methyl 2-(4,6-dimethylquinolin-2-yl)acetate (PubChem CID 82575101) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(4,6-dimethylquinolin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,6-dimethylquinolin-2-yl)acetate
PubChem CID82575101
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-(4,6-dimethylquinolin-2-yl)acetate
SMILESCOC(=O)Cc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C14H15NO2/c1-9-4-5-13-12(6-9)10(2)7-11(15-13)8-14(16)17-3/h4-7H,8H2,1-3H3
InChIKeySVHRKZPLQAFNRK-UHFFFAOYSA-N
XLogP2.57
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128
methyl 2-[4-(2,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435426
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
2-(6-acetamido-4-methylquinolin-2-yl)acetic acid
CID 82574932
methyl 2-[4-(3,5-dimethylanilino)quinolin-2-yl]acetate
CID 110435406
methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate
CID 83765886
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
methyl 2-(4-methyl-8-propan-2-yloxyquinolin-2-yl)acetate
CID 82575130
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,6-dimethylquinolin-2-yl)acetate?
The IUPAC name of methyl 2-(4,6-dimethylquinolin-2-yl)acetate (CID 82575101) is methyl 2-(4,6-dimethylquinolin-2-yl)acetate.
What is the SMILES notation for methyl 2-(4,6-dimethylquinolin-2-yl)acetate?
The canonical SMILES for methyl 2-(4,6-dimethylquinolin-2-yl)acetate is COC(=O)Cc1cc(C)c2cc(C)ccc2n1.
What is the InChIKey of methyl 2-(4,6-dimethylquinolin-2-yl)acetate?
The InChIKey is SVHRKZPLQAFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-4-5-13-12(6-9)10(2)7-11(15-13)8-14(16)17-3/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(4,6-dimethylquinolin-2-yl)acetate?
methyl 2-(4,6-dimethylquinolin-2-yl)acetate has a molecular weight of 229.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,6-dimethylquinolin-2-yl)acetate is sourced from PubChem (CID 82575101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).