3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile

C24H20N4O3 — CID 134442330

IUPAC3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile
SMILESCOc1cnc2ccc(Nc3ccc(OCc4ccccc4)c(OC)c3)c(C#N)c2n1
InChIInChI=1S/C24H20N4O3/c1-29-22-12-17(8-11-21(22)31-15-16-6-4-3-5-7-16)27-19-9-10-20-24(18(19)13-25)28-23(30-2)14-26-20/h3-12,14,27H,15H2,1-2H3
InChIKeyRIMTZZUSNHFRIM-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.84
Rot. Bonds7

About 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile

3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile (PubChem CID 134442330) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile
PubChem CID134442330
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile
SMILESCOc1cnc2ccc(Nc3ccc(OCc4ccccc4)c(OC)c3)c(C#N)c2n1
InChIInChI=1S/C24H20N4O3/c1-29-22-12-17(8-11-21(22)31-15-16-6-4-3-5-7-16)27-19-9-10-20-24(18(19)13-25)28-23(30-2)14-26-20/h3-12,14,27H,15H2,1-2H3
InChIKeyRIMTZZUSNHFRIM-UHFFFAOYSA-N
XLogP4.84
TPSA89.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-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

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-(methylamino)quinoxaline-5-carbonitrile
CID 134442092
6-[3-methoxy-4-[(6-methoxy-3-pyridinyl)methoxy]anilino]-3-pyrrolidin-1-ylquinoxaline-5-carbonitrile
CID 139557076
3-[(1-benzylpiperidin-4-yl)amino]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
CID 139557079
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]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442347
6-[4-[(4-hydroxyphenyl)methoxy]-3-methoxyanilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 163767095
6-[3-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442339
2-(3-methoxy-4-phenylmethoxyphenyl)ethylazanium chloride
CID 2752224
2-(3-methoxyphenyl)-N-(3-methoxy-4-phenylmethoxyphenyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-amine
CID 23159012
4-methoxy-2-(4-phenylmethoxyanilino)pyridine-3-carbonitrile
CID 1475663
4-(4-methoxy-3-phenylmethoxyphenyl)-2-(4-methylanilino)-6-oxo-1H-pyrimidine-5-carbonitrile
CID 142008326

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile?
The IUPAC name of 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile (CID 134442330) is 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile.
What is the SMILES notation for 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile?
The canonical SMILES for 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile is COc1cnc2ccc(Nc3ccc(OCc4ccccc4)c(OC)c3)c(C#N)c2n1.
What is the InChIKey of 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile?
The InChIKey is RIMTZZUSNHFRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-29-22-12-17(8-11-21(22)31-15-16-6-4-3-5-7-16)27-19-9-10-20-24(18(19)13-25)28-23(30-2)14-26-20/h3-12,14,27H,15H2,1-2H3.
What are the key properties of 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile?
3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile has a molecular weight of 412.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile is sourced from PubChem (CID 134442330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).