3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile

C28H29N5O4 — CID 134442346

IUPAC3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(OCCN(C)C)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C28H29N5O4/c1-33(2)13-14-36-27-17-30-24-11-10-23(22(16-29)28(24)32-27)31-20-7-12-25(26(15-20)35-4)37-18-19-5-8-21(34-3)9-6-19/h5-12,15,17,31H,13-14,18H2,1-4H3
InChIKeyYJWLVWWOBHGDPY-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.78
Rot. Bonds11

About 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile

3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile (PubChem CID 134442346) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
PubChem CID134442346
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Nc3ccc4ncc(OCCN(C)C)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C28H29N5O4/c1-33(2)13-14-36-27-17-30-24-11-10-23(22(16-29)28(24)32-27)31-20-7-12-25(26(15-20)35-4)37-18-19-5-8-21(34-3)9-6-19/h5-12,15,17,31H,13-14,18H2,1-4H3
InChIKeyYJWLVWWOBHGDPY-UHFFFAOYSA-N
XLogP4.78
TPSA101.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]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

6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]-3-(methylamino)quinoxaline-5-carbonitrile
CID 134442092
3-methoxy-6-(3-methoxy-4-phenylmethoxyanilino)quinoxaline-5-carbonitrile
CID 134442330
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-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-fluoro-4-[(4-methoxyphenyl)methoxy]anilino]-3-morpholin-4-ylquinoxaline-5-carbonitrile
CID 134442339
6-[[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methyl]-3-(4-propan-2-ylpiperazin-1-yl)quinoxaline-5-carbonitrile
CID 147873383
2-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]-N,N-dimethylethanamine
CID 171715461
4-[(4-cyanophenyl)methoxy]-3-methoxybenzonitrile
CID 4808207
3-[[5-[(3,4-dimethoxyphenyl)methoxy]-3-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 22989741

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
The IUPAC name of 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile (CID 134442346) is 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile.
What is the SMILES notation for 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
The canonical SMILES for 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Nc3ccc4ncc(OCCN(C)C)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
The InChIKey is YJWLVWWOBHGDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-33(2)13-14-36-27-17-30-24-11-10-23(22(16-29)28(24)32-27)31-20-7-12-25(26(15-20)35-4)37-18-19-5-8-21(34-3)9-6-19/h5-12,15,17,31H,13-14,18H2,1-4H3.
What are the key properties of 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile?
3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile has a molecular weight of 499.57 g/mol, XLogP of 4.78, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethoxy]-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]anilino]quinoxaline-5-carbonitrile is sourced from PubChem (CID 134442346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).