6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide

C26H21N3O5 — CID 24824446

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3)c2cc1OC
InChIInChI=1S/C26H21N3O5/c1-15-11-25(29-34-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,29,30)
InChIKeyZDWOBQHLTMTKEA-UHFFFAOYSA-N
MW455.47 g/mol
LogP5.75
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (PubChem CID 24824446) has the molecular formula C26H21N3O5 and a molecular weight of 455.47 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
PubChem CID24824446
Molecular FormulaC26H21N3O5
Molecular Weight455.47 g/mol
Exact Mass455.15
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3)c2cc1OC
InChIInChI=1S/C26H21N3O5/c1-15-11-25(29-34-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,29,30)
InChIKeyZDWOBQHLTMTKEA-UHFFFAOYSA-N
XLogP5.75
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.47
LogP ≤ 55.75
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-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (CID 24824446) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C)on5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is ZDWOBQHLTMTKEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O5/c1-15-11-25(29-34-15)28-26(30)19-6-4-5-16-12-17(7-8-18(16)19)33-22-9-10-27-21-14-24(32-3)23(31-2)13-20(21)22/h4-14H,1-3H3,(H,28,29,30).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 5.75, 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-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 24824446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).