6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide

C25H19N3O5 — CID 11453506

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccon5)cccc4c3)c2cc1OC
InChIInChI=1S/C25H19N3O5/c1-30-22-13-19-20(14-23(22)31-2)26-10-8-21(19)33-16-6-7-17-15(12-16)4-3-5-18(17)25(29)27-24-9-11-32-28-24/h3-14H,1-2H3,(H,27,28,29)
InChIKeyCOUVYKNBQZOXLF-UHFFFAOYSA-N
MW441.44 g/mol
LogP5.44
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide (PubChem CID 11453506) has the molecular formula C25H19N3O5 and a molecular weight of 441.44 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide
PubChem CID11453506
Molecular FormulaC25H19N3O5
Molecular Weight441.44 g/mol
Exact Mass441.13
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccon5)cccc4c3)c2cc1OC
InChIInChI=1S/C25H19N3O5/c1-30-22-13-19-20(14-23(22)31-2)26-10-8-21(19)33-16-6-7-17-15(12-16)4-3-5-18(17)25(29)27-24-9-11-32-28-24/h3-14H,1-2H3,(H,27,28,29)
InChIKeyCOUVYKNBQZOXLF-UHFFFAOYSA-N
XLogP5.44
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.44
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide (CID 11453506) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccon5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is COUVYKNBQZOXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O5/c1-30-22-13-19-20(14-23(22)31-2)26-10-8-21(19)33-16-6-7-17-15(12-16)4-3-5-18(17)25(29)27-24-9-11-32-28-24/h3-14H,1-2H3,(H,27,28,29).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 441.44 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 11453506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).