6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide

C26H26N2O5 — CID 24823251

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide
SMILESCOCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
InChIKeyVGXCATLWCWFSPS-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.96
Rot. Bonds9

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide (PubChem CID 24823251) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide
PubChem CID24823251
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide
SMILESCOCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12
InChIInChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29)
InChIKeyVGXCATLWCWFSPS-UHFFFAOYSA-N
XLogP4.96
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide (CID 24823251) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide is COCCCNC(=O)c1cccc2cc(Oc3ccnc4cc(OC)c(OC)cc34)ccc12.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide?
The InChIKey is VGXCATLWCWFSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-30-13-5-11-28-26(29)20-7-4-6-17-14-18(8-9-19(17)20)33-23-10-12-27-22-16-25(32-3)24(31-2)15-21(22)23/h4,6-10,12,14-16H,5,11,13H2,1-3H3,(H,28,29).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(3-methoxypropyl)naphthalene-1-carboxamide is sourced from PubChem (CID 24823251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).