N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C29H27N3O5 — CID 24822430

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H27N3O5/c1-29(2,3)26-16-27(32-37-26)31-28(33)20-8-6-7-17-13-18(9-10-19(17)20)36-23-11-12-30-22-15-25(35-5)24(34-4)14-21(22)23/h6-16H,1-5H3,(H,31,32,33)
InChIKeyZWQPZFHCKLZVGB-UHFFFAOYSA-N
MW497.55 g/mol
LogP6.74
Rot. Bonds6

About N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 24822430) has the molecular formula C29H27N3O5 and a molecular weight of 497.55 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID24822430
Molecular FormulaC29H27N3O5
Molecular Weight497.55 g/mol
Exact Mass497.20
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)c2cc1OC
InChIInChI=1S/C29H27N3O5/c1-29(2,3)26-16-27(32-37-26)31-28(33)20-8-6-7-17-13-18(9-10-19(17)20)36-23-11-12-30-22-15-25(35-5)24(34-4)14-21(22)23/h6-16H,1-5H3,(H,31,32,33)
InChIKeyZWQPZFHCKLZVGB-UHFFFAOYSA-N
XLogP6.74
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.55
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 24822430) is N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(C(C)(C)C)on5)cccc4c3)c2cc1OC.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is ZWQPZFHCKLZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O5/c1-29(2,3)26-16-27(32-37-26)31-28(33)20-8-6-7-17-13-18(9-10-19(17)20)36-23-11-12-30-22-15-25(35-5)24(34-4)14-21(22)23/h6-16H,1-5H3,(H,31,32,33).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 497.55 g/mol, XLogP of 6.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 24822430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).