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

C25H23N5O3 — CID 134442092

IUPAC6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile
SMILESCNc1cnc2ccc(Nc3ccc(OCc4ccc(OC)cc4)c(OC)c3)c(C#N)c2n1
InChIInChI=1S/C25H23N5O3/c1-27-24-14-28-21-10-9-20(19(13-26)25(21)30-24)29-17-6-11-22(23(12-17)32-3)33-15-16-4-7-18(31-2)8-5-16/h4-12,14,29H,15H2,1-3H3,(H,27,30)
InChIKeyCOWUPJMCJMJMIW-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.88
Rot. Bonds8

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

6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile (PubChem CID 134442092) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile
PubChem CID134442092
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile
SMILESCNc1cnc2ccc(Nc3ccc(OCc4ccc(OC)cc4)c(OC)c3)c(C#N)c2n1
InChIInChI=1S/C25H23N5O3/c1-27-24-14-28-21-10-9-20(19(13-26)25(21)30-24)29-17-6-11-22(23(12-17)32-3)33-15-16-4-7-18(31-2)8-5-16/h4-12,14,29H,15H2,1-3H3,(H,27,30)
InChIKeyCOWUPJMCJMJMIW-UHFFFAOYSA-N
XLogP4.88
TPSA101.32 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 134442346
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442347
3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile
CID 134442330
3-[(1-benzylpiperidin-4-yl)amino]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 139557079
6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 163767095
6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
CID 139557076
6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442339
3-imidazol-1-yl-6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 134441984
6-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-3-(4-propan-2-ylpiperazin-1-yl)quinoxaline-5-carbonitrile
CID 147873383
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
6-methoxy-N-[[2-methoxy-4-(methylamino)phenyl]methyl]quinoxalin-2-amine
CID 163752941
2-methoxy-4-[2-(4-methoxyphenyl)ethyl]-1-[(4-methylphenyl)methoxy]benzene
CID 157158831

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile (CID 134442092) is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile is CNc1cnc2ccc(Nc3ccc(OCc4ccc(OC)cc4)c(OC)c3)c(C#N)c2n1.
What is the InChIKey of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile?
The InChIKey is COWUPJMCJMJMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-27-24-14-28-21-10-9-20(19(13-26)25(21)30-24)29-17-6-11-22(23(12-17)32-3)33-15-16-4-7-18(31-2)8-5-16/h4-12,14,29H,15H2,1-3H3,(H,27,30).
What are the key properties of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile?
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile has a molecular weight of 441.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile is sourced from PubChem (CID 134442092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).