6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile

C26H24N4O4 — CID 134442321

IUPAC6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile
SMILESCCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C26H24N4O4/c1-4-33-19-8-5-17(6-9-19)16-34-23-12-7-18(13-24(23)31-2)29-21-10-11-22-26(20(21)14-27)30-25(32-3)15-28-22/h5-13,15,29H,4,16H2,1-3H3
InChIKeyMTQSGGPTVPMKCO-UHFFFAOYSA-N
MW456.50 g/mol
LogP5.24
Rot. Bonds9

About 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile

6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile (PubChem CID 134442321) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile
PubChem CID134442321
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile
SMILESCCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C26H24N4O4/c1-4-33-19-8-5-17(6-9-19)16-34-23-12-7-18(13-24(23)31-2)29-21-10-11-22-26(20(21)14-27)30-25(32-3)15-28-22/h5-13,15,29H,4,16H2,1-3H3
InChIKeyMTQSGGPTVPMKCO-UHFFFAOYSA-N
XLogP5.24
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.50
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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6,7-Bis(2-methoxyethoxy)-4-[(3,4,5-trimethoxyphenyl)amino]quinoline-3-carbonitrile
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4-[(4-Ethoxy-3,5-dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5330469
6,7-Dimethoxy-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
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6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenoxy-phenylamino)-quinoline-3-carbonitrile
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4-(4-Benzyl-phenylamino)-6-methoxy-7-(3-morpholin-4-yl-propoxy)-quinoline-3-carbonitrile
CID 11755998
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-[4-(pyridin-4-yloxy)-phenylamino]-quinoline-3-carbonitrile
CID 17903650
6-Methoxy-7-(3-morpholin-4-yl-propoxy)-4-(4-phenethyl-phenylamino)-quinoline-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile?
The IUPAC name of 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile (CID 134442321) is 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile is CCOc1ccc(COc2ccc(Nc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile?
The InChIKey is MTQSGGPTVPMKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-4-33-19-8-5-17(6-9-19)16-34-23-12-7-18(13-24(23)31-2)29-21-10-11-22-26(20(21)14-27)30-25(32-3)15-28-22/h5-13,15,29H,4,16H2,1-3H3.
What are the key properties of 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile?
6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile has a molecular weight of 456.50 g/mol, XLogP of 5.24, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-ethoxyphenyl)methoxy]-3-methoxyanilino]-3-methoxyquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).