methyl 3-(4,6-dimethylquinolin-2-yl)propanoate

C15H17NO2 — CID 82578143

IUPACmethyl 3-(4,6-dimethylquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C15H17NO2/c1-10-4-6-14-13(8-10)11(2)9-12(16-14)5-7-15(17)18-3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyJBMQDFYICRYHPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.96
Rot. Bonds3

About methyl 3-(4,6-dimethylquinolin-2-yl)propanoate

methyl 3-(4,6-dimethylquinolin-2-yl)propanoate (PubChem CID 82578143) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 3-(4,6-dimethylquinolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4,6-dimethylquinolin-2-yl)propanoate
PubChem CID82578143
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 3-(4,6-dimethylquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1cc(C)c2cc(C)ccc2n1
InChIInChI=1S/C15H17NO2/c1-10-4-6-14-13(8-10)11(2)9-12(16-14)5-7-15(17)18-3/h4,6,8-9H,5,7H2,1-3H3
InChIKeyJBMQDFYICRYHPN-UHFFFAOYSA-N
XLogP2.96
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 3-(4,6-dimethylquinolin-2-yl)propanoate 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

methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
CID 82578176
methyl 2-(6-ethyl-4-methylquinolin-2-yl)acetate
CID 59382493
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
CID 82577979
methyl 2-(6-butyl-4-methylquinolin-2-yl)acetate
CID 82575128
methyl 2-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]acetate
CID 82575144
methyl 3-[2-(2,4-dimethylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039914
methyl (E)-3-(4,6-dimethylquinolin-2-yl)prop-2-enoate
CID 83765886
methyl 3-(6,7-difluoroquinolin-2-yl)propanoate
CID 82244958
methyl 6-[(2,6-dimethylquinoline-4-carbonyl)amino]hexanoate
CID 31838218
methyl 3-[6-(trifluoromethyl)quinolin-2-yl]propanoate
CID 82249527
methyl 3-(6-iodo-2-methylquinolin-4-yl)propanoate
CID 82578245

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,6-dimethylquinolin-2-yl)propanoate?
The IUPAC name of methyl 3-(4,6-dimethylquinolin-2-yl)propanoate (CID 82578143) is methyl 3-(4,6-dimethylquinolin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(4,6-dimethylquinolin-2-yl)propanoate?
The canonical SMILES for methyl 3-(4,6-dimethylquinolin-2-yl)propanoate is COC(=O)CCc1cc(C)c2cc(C)ccc2n1.
What is the InChIKey of methyl 3-(4,6-dimethylquinolin-2-yl)propanoate?
The InChIKey is JBMQDFYICRYHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-4-6-14-13(8-10)11(2)9-12(16-14)5-7-15(17)18-3/h4,6,8-9H,5,7H2,1-3H3.
What are the key properties of methyl 3-(4,6-dimethylquinolin-2-yl)propanoate?
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate has a molecular weight of 243.31 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,6-dimethylquinolin-2-yl)propanoate is sourced from PubChem (CID 82578143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).