6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide

C27H21N3O4 — CID 24822428

IUPAC6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccccn5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31)
InChIKeyAFNDEYWFNPXTKJ-UHFFFAOYSA-N
MW451.48 g/mol
LogP5.84
Rot. Bonds6

About 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide

6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide (PubChem CID 24822428) has the molecular formula C27H21N3O4 and a molecular weight of 451.48 g/mol. Its IUPAC name is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide.

Molecular Properties

Compound Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
PubChem CID24822428
Molecular FormulaC27H21N3O4
Molecular Weight451.48 g/mol
Exact Mass451.15
IUPAC Name6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccccn5)cccc4c3)c2cc1OC
InChIInChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31)
InChIKeyAFNDEYWFNPXTKJ-UHFFFAOYSA-N
XLogP5.84
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide?
The IUPAC name of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide (CID 24822428) is 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide.
What is the SMILES notation for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide?
The canonical SMILES for 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5ccccn5)cccc4c3)c2cc1OC.
What is the InChIKey of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide?
The InChIKey is AFNDEYWFNPXTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4/c1-32-24-15-21-22(16-25(24)33-2)28-13-11-23(21)34-18-9-10-19-17(14-18)6-5-7-20(19)27(31)30-26-8-3-4-12-29-26/h3-16H,1-2H3,(H,29,30,31).
What are the key properties of 6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide?
6-(6,7-dimethoxyquinolin-4-yl)oxy-N-pyridin-2-ylnaphthalene-1-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 5.84, 6 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-pyridin-2-ylnaphthalene-1-carboxamide is sourced from PubChem (CID 24822428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).