6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide

C28H22N2O4 — CID 11487747

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c2cc1OC
InChIInChI=1S/C28H22N2O4/c1-32-26-16-23-24(17-27(26)33-2)29-14-13-25(23)34-20-11-12-21-18(15-20)7-6-10-22(21)28(31)30-19-8-4-3-5-9-19/h3-17H,1-2H3,(H,30,31)
InChIKeyURNZQWJPYZWUDX-UHFFFAOYSA-N
MW450.49 g/mol
LogP6.45
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide (PubChem CID 11487747) has the molecular formula C28H22N2O4 and a molecular weight of 450.49 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
PubChem CID11487747
Molecular FormulaC28H22N2O4
Molecular Weight450.49 g/mol
Exact Mass450.16
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c2cc1OC
InChIInChI=1S/C28H22N2O4/c1-32-26-16-23-24(17-27(26)33-2)29-14-13-25(23)34-20-11-12-21-18(15-20)7-6-10-22(21)28(31)30-19-8-4-3-5-9-19/h3-17H,1-2H3,(H,30,31)
InChIKeyURNZQWJPYZWUDX-UHFFFAOYSA-N
XLogP6.45
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide (CID 11487747) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
The InChIKey is URNZQWJPYZWUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2O4/c1-32-26-16-23-24(17-27(26)33-2)29-14-13-25(23)34-20-11-12-21-18(15-20)7-6-10-22(21)28(31)30-19-8-4-3-5-9-19/h3-17H,1-2H3,(H,30,31).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide has a molecular weight of 450.49 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-phenylnaphthalene-1-carboxamide is sourced from PubChem (CID 11487747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).