methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate

C16H19NO4 — CID 82250498

IUPACmethyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1ccc2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H19NO4/c1-10(16(18)21-4)7-12-6-5-11-8-14(19-2)15(20-3)9-13(11)17-12/h5-6,8-10H,7H2,1-4H3
InChIKeyGSZYYBKHICSWMZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.60
Rot. Bonds5

About methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate

methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate (PubChem CID 82250498) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate
PubChem CID82250498
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)Cc1ccc2cc(OC)c(OC)cc2n1
InChIInChI=1S/C16H19NO4/c1-10(16(18)21-4)7-12-6-5-11-8-14(19-2)15(20-3)9-13(11)17-12/h5-6,8-10H,7H2,1-4H3
InChIKeyGSZYYBKHICSWMZ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate?
The IUPAC name of methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate (CID 82250498) is methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate?
The canonical SMILES for methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate is COC(=O)C(C)Cc1ccc2cc(OC)c(OC)cc2n1.
What is the InChIKey of methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate?
The InChIKey is GSZYYBKHICSWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(16(18)21-4)7-12-6-5-11-8-14(19-2)15(20-3)9-13(11)17-12/h5-6,8-10H,7H2,1-4H3.
What are the key properties of methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate?
methyl 3-(6,7-dimethoxyquinolin-2-yl)-2-methylpropanoate has a molecular weight of 289.33 g/mol, XLogP of 2.60, 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-dimethoxyquinolin-2-yl)-2-methylpropanoate is sourced from PubChem (CID 82250498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).