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

C28H27N5O4 — CID 134442347

IUPAC6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C28H27N5O4/c1-34-21-6-3-19(4-7-21)18-37-25-10-5-20(15-26(25)35-2)31-23-8-9-24-28(22(23)16-29)32-27(17-30-24)33-11-13-36-14-12-33/h3-10,15,17,31H,11-14,18H2,1-2H3
InChIKeySVGRIJAWIHWIDS-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.68
Rot. Bonds8

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

6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 134442347) has the molecular formula C28H27N5O4 and a molecular weight of 497.56 g/mol. Its IUPAC name is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID134442347
Molecular FormulaC28H27N5O4
Molecular Weight497.56 g/mol
Exact Mass497.21
IUPAC Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C28H27N5O4/c1-34-21-6-3-19(4-7-21)18-37-25-10-5-20(15-26(25)35-2)31-23-8-9-24-28(22(23)16-29)32-27(17-30-24)33-11-13-36-14-12-33/h3-10,15,17,31H,11-14,18H2,1-2H3
InChIKeySVGRIJAWIHWIDS-UHFFFAOYSA-N
XLogP4.68
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 134442347) is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is SVGRIJAWIHWIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O4/c1-34-21-6-3-19(4-7-21)18-37-25-10-5-20(15-26(25)35-2)31-23-8-9-24-28(22(23)16-29)32-27(17-30-24)33-11-13-36-14-12-33/h3-10,15,17,31H,11-14,18H2,1-2H3.
What are the key properties of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 497.56 g/mol, XLogP of 4.68, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).