N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

C33H23N3O5 — CID 59813889

IUPACN-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(-c6ccccc6)oc5C#N)cccc4c3)c2cc1OC
InChIInChI=1S/C33H23N3O5/c1-38-30-16-25-26(17-31(30)39-2)35-14-13-28(25)40-22-11-12-23-21(15-22)9-6-10-24(23)33(37)36-27-18-29(41-32(27)19-34)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,36,37)
InChIKeyFXTWWOALHMFIEL-UHFFFAOYSA-N
MW541.56 g/mol
LogP7.58
Rot. Bonds7

About N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide

N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (PubChem CID 59813889) has the molecular formula C33H23N3O5 and a molecular weight of 541.56 g/mol. Its IUPAC name is N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
PubChem CID59813889
Molecular FormulaC33H23N3O5
Molecular Weight541.56 g/mol
Exact Mass541.16
IUPAC NameN-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide
SMILESCOc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(-c6ccccc6)oc5C#N)cccc4c3)c2cc1OC
InChIInChI=1S/C33H23N3O5/c1-38-30-16-25-26(17-31(30)39-2)35-14-13-28(25)40-22-11-12-23-21(15-22)9-6-10-24(23)33(37)36-27-18-29(41-32(27)19-34)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,36,37)
InChIKeyFXTWWOALHMFIEL-UHFFFAOYSA-N
XLogP7.58
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.56
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The IUPAC name of N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide (CID 59813889) is N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide.
What is the SMILES notation for N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The canonical SMILES for N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is COc1cc2nccc(Oc3ccc4c(C(=O)Nc5cc(-c6ccccc6)oc5C#N)cccc4c3)c2cc1OC.
What is the InChIKey of N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
The InChIKey is FXTWWOALHMFIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O5/c1-38-30-16-25-26(17-31(30)39-2)35-14-13-28(25)40-22-11-12-23-21(15-22)9-6-10-24(23)33(37)36-27-18-29(41-32(27)19-34)20-7-4-3-5-8-20/h3-18H,1-2H3,(H,36,37).
What are the key properties of N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide?
N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide has a molecular weight of 541.56 g/mol, XLogP of 7.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-5-phenylfuran-3-yl)-6-(6,7-dimethoxyquinolin-4-yl)oxynaphthalene-1-carboxamide is sourced from PubChem (CID 59813889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).