7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide

C24H23N3O5 — CID 142776497

IUPAC7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCOCCc1cc(C(N)=O)c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2n1
InChIInChI=1S/C24H23N3O5/c1-29-9-7-14-10-17(24(25)28)16-5-4-15(11-20(16)27-14)32-21-6-8-26-19-13-23(31-3)22(30-2)12-18(19)21/h4-6,8,10-13H,7,9H2,1-3H3,(H2,25,28)
InChIKeyXQWNLLORVXIUIY-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.88
Rot. Bonds8

About 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide

7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide (PubChem CID 142776497) has the molecular formula C24H23N3O5 and a molecular weight of 433.46 g/mol. Its IUPAC name is 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
PubChem CID142776497
Molecular FormulaC24H23N3O5
Molecular Weight433.46 g/mol
Exact Mass433.16
IUPAC Name7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide
SMILESCOCCc1cc(C(N)=O)c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2n1
InChIInChI=1S/C24H23N3O5/c1-29-9-7-14-10-17(24(25)28)16-5-4-15(11-20(16)27-14)32-21-6-8-26-19-13-23(31-3)22(30-2)12-18(19)21/h4-6,8,10-13H,7,9H2,1-3H3,(H2,25,28)
InChIKeyXQWNLLORVXIUIY-UHFFFAOYSA-N
XLogP3.88
TPSA105.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide?
The IUPAC name of 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide (CID 142776497) is 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide.
What is the SMILES notation for 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide?
The canonical SMILES for 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide is COCCc1cc(C(N)=O)c2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2n1.
What is the InChIKey of 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide?
The InChIKey is XQWNLLORVXIUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O5/c1-29-9-7-14-10-17(24(25)28)16-5-4-15(11-20(16)27-14)32-21-6-8-26-19-13-23(31-3)22(30-2)12-18(19)21/h4-6,8,10-13H,7,9H2,1-3H3,(H2,25,28).
What are the key properties of 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide?
7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6,7-dimethoxyquinolin-4-yl)oxy-2-(2-methoxyethyl)quinoline-4-carboxamide is sourced from PubChem (CID 142776497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).