methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate

C19H17NO5 — CID 71377074

IUPACmethyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
SMILESCOC(=O)c1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H17NO5/c1-22-17-10-14-15(11-18(17)23-2)20-8-7-16(14)25-13-6-4-5-12(9-13)19(21)24-3/h4-11H,1-3H3
InChIKeyIMUIGQDOAZACTL-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.83
Rot. Bonds5

About methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate

methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate (PubChem CID 71377074) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate.

Molecular Properties

Compound Namemethyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
PubChem CID71377074
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate
SMILESCOC(=O)c1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1
InChIInChI=1S/C19H17NO5/c1-22-17-10-14-15(11-18(17)23-2)20-8-7-16(14)25-13-6-4-5-12(9-13)19(21)24-3/h4-11H,1-3H3
InChIKeyIMUIGQDOAZACTL-UHFFFAOYSA-N
XLogP3.83
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2,4-dioxopentyl]benzoate
CID 58249424
N-[3-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]acetamide
CID 54359484
methyl 4-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamoyl]benzoate
CID 22132633
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]pyridine-3-carboxamide
CID 22132777
7-methoxy-4-(3-methoxyphenoxy)-N-methylquinoline-6-carboxamide
CID 69131598
N-[6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]pyridine-3-carboxamide
CID 59813488
methane;4,6,7-trimethoxyquinoline
CID 157066291
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
methyl 3-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-[(3-methoxybenzoyl)amino]propanoate
CID 139803948
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-[(1R)-1-phenylethyl]benzamide
CID 167614869
3-(6-methoxy-7-methylquinolin-4-yl)oxy-N-(pyridin-4-ylmethyl)benzamide
CID 167695764

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate?
The IUPAC name of methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate (CID 71377074) is methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate.
What is the SMILES notation for methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate?
The canonical SMILES for methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate is COC(=O)c1cccc(Oc2ccnc3cc(OC)c(OC)cc23)c1.
What is the InChIKey of methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate?
The InChIKey is IMUIGQDOAZACTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-22-17-10-14-15(11-18(17)23-2)20-8-7-16(14)25-13-6-4-5-12(9-13)19(21)24-3/h4-11H,1-3H3.
What are the key properties of methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate?
methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate has a molecular weight of 339.35 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6,7-dimethoxyquinolin-4-yl)oxybenzoate is sourced from PubChem (CID 71377074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).