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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Related Compounds

methyl 3-(6,7-difluoroquinolin-2-yl)-2-methylpropanoate
CID 82246778
2-(6,7-dimethoxyquinolin-2-yl)ethanol
CID 91665827
methyl 3-(5-hydroxy-2-pyridinyl)-2-methylpropanoate
CID 134591352
ethyl 2-methyl-3-quinolin-2-ylpropanoate
CID 59134939
3-(7-bromoquinolin-2-yl)-2-methylpropanoic acid
CID 82251244
methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
2-azulen-2-yl-6,7-dimethoxyquinoline
CID 10591430
methyl 2-acetamido-3-[4-[(7-hydroxy-6-methoxyquinolin-2-yl)amino]phenyl]propanoate
CID 164899928
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
methyl (2S)-3-[4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenyl]-2-methylpropanoate
CID 170645609
6,7-dimethoxy-2-tritioquinoline
CID 173196724
methyl 2-methyl-3-phenylpropanoate
CID 11105919

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).