4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate

C20H17NO6 — CID 45482568

IUPAC4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C20H17NO6/c1-24-14-10-15-18(17(11-14)25-2)16(8-9-21-15)27-20(23)13-6-4-12(5-7-13)19(22)26-3/h4-11H,1-3H3
InChIKeyKLOZOHUOAZCVCO-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.26
Rot. Bonds5

About 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate

4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate (PubChem CID 45482568) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate.

Molecular Properties

Compound Name4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate
PubChem CID45482568
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate
SMILESCOC(=O)c1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C20H17NO6/c1-24-14-10-15-18(17(11-14)25-2)16(8-9-21-15)27-20(23)13-6-4-12(5-7-13)19(22)26-3/h4-11H,1-3H3
InChIKeyKLOZOHUOAZCVCO-UHFFFAOYSA-N
XLogP3.26
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate?
The IUPAC name of 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate (CID 45482568) is 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate.
What is the SMILES notation for 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate?
The canonical SMILES for 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate is COC(=O)c1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1.
What is the InChIKey of 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate?
The InChIKey is KLOZOHUOAZCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-24-14-10-15-18(17(11-14)25-2)16(8-9-21-15)27-20(23)13-6-4-12(5-7-13)19(22)26-3/h4-11H,1-3H3.
What are the key properties of 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate?
4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate has a molecular weight of 367.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-(5,7-dimethoxyquinolin-4-yl) 1-O-methyl benzene-1,4-dicarboxylate is sourced from PubChem (CID 45482568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).