3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile

C25H22N4O4 — CID 134442157

IUPAC3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C25H22N4O4/c1-30-18-7-4-16(5-8-18)15-33-22-11-6-17(12-23(22)31-2)28-20-9-10-21-25(19(20)13-26)29-24(32-3)14-27-21/h4-12,14,28H,15H2,1-3H3
InChIKeyLLPKSTJFLXITBK-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.85
Rot. Bonds8

About 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile

3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile (PubChem CID 134442157) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
PubChem CID134442157
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C25H22N4O4/c1-30-18-7-4-16(5-8-18)15-33-22-11-6-17(12-23(22)31-2)28-20-9-10-21-25(19(20)13-26)29-24(32-3)14-27-21/h4-12,14,28H,15H2,1-3H3
InChIKeyLLPKSTJFLXITBK-UHFFFAOYSA-N
XLogP4.85
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile with MolForge

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Related Compounds

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6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
The IUPAC name of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile (CID 134442157) is 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile.
What is the SMILES notation for 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
The canonical SMILES for 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
The InChIKey is LLPKSTJFLXITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-30-18-7-4-16(5-8-18)15-33-22-11-6-17(12-23(22)31-2)28-20-9-10-21-25(19(20)13-26)29-24(32-3)14-27-21/h4-12,14,28H,15H2,1-3H3.
What are the key properties of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile has a molecular weight of 442.48 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile is sourced from PubChem (CID 134442157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).