methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate

C16H19NO4 — CID 82578176

IUPACmethyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1cc(C)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H19NO4/c1-10-7-11(5-6-16(18)21-4)17-13-9-15(20-3)14(19-2)8-12(10)13/h7-9H,5-6H2,1-4H3
InChIKeyZAGIZHQFTHARJN-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.67
Rot. Bonds5

About methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate

methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate (PubChem CID 82578176) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
PubChem CID82578176
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate
SMILESCOC(=O)CCc1cc(C)c2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H19NO4/c1-10-7-11(5-6-16(18)21-4)17-13-9-15(20-3)14(19-2)8-12(10)13/h7-9H,5-6H2,1-4H3
InChIKeyZAGIZHQFTHARJN-UHFFFAOYSA-N
XLogP2.67
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoic acid
CID 82577979
methyl 3-(4,6-dimethylquinolin-2-yl)propanoate
CID 82578143
3-(6,7-dimethoxy-4-methylquinolin-2-yl)propan-1-ol
CID 70764320
methyl 3-(5,8-dimethoxyquinolin-2-yl)propanoate
CID 82248195
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
1-(6,7-dimethoxy-4-methylquinolin-2-yl)ethanol
CID 82576000
methyl 4-(4,5-dimethoxy-2-methylphenyl)-4-oxobutanoate
CID 116919180
methyl 3-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)propanoate
CID 14718200
methyl 3-(2,5-dimethoxy-3,4-dimethylphenyl)propanoate
CID 116927465
2-(6,7-dimethoxy-4-methylquinolin-2-yl)-6-methoxyphenol
CID 169417890
methyl 3-(2-hydroxy-4,5-dimethoxyphenyl)propanoate
CID 12862928
6,7-dimethoxy-N,N,4-trimethylquinolin-2-amine
CID 135106538

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate?
The IUPAC name of methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate (CID 82578176) is methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate.
What is the SMILES notation for methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate?
The canonical SMILES for methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate is COC(=O)CCc1cc(C)c2cc(OC)c(OC)cc2n1.
What is the InChIKey of methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate?
The InChIKey is ZAGIZHQFTHARJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10-7-11(5-6-16(18)21-4)17-13-9-15(20-3)14(19-2)8-12(10)13/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate?
methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate has a molecular weight of 289.33 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,7-dimethoxy-4-methylquinolin-2-yl)propanoate is sourced from PubChem (CID 82578176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).