6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile

C26H23N3O5 — CID 134442343

IUPAC6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile
SMILESCCOc1cc(Oc2ccc3ncc(OC)nc3c2C#N)ccc1OCc1ccc(OC)cc1
InChIInChI=1S/C26H23N3O5/c1-4-32-24-13-19(9-11-23(24)33-16-17-5-7-18(30-2)8-6-17)34-22-12-10-21-26(20(22)14-27)29-25(31-3)15-28-21/h5-13,15H,4,16H2,1-3H3
InChIKeyRCYYIRZSTVDIPO-UHFFFAOYSA-N
MW457.49 g/mol
LogP5.29
Rot. Bonds9

About 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile

6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile (PubChem CID 134442343) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile
PubChem CID134442343
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC Name6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile
SMILESCCOc1cc(Oc2ccc3ncc(OC)nc3c2C#N)ccc1OCc1ccc(OC)cc1
InChIInChI=1S/C26H23N3O5/c1-4-32-24-13-19(9-11-23(24)33-16-17-5-7-18(30-2)8-6-17)34-22-12-10-21-26(20(22)14-27)29-25(31-3)15-28-21/h5-13,15H,4,16H2,1-3H3
InChIKeyRCYYIRZSTVDIPO-UHFFFAOYSA-N
XLogP5.29
TPSA95.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.49
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6,7-Dimethoxy-4-(3,4-dimethoxyphenoxy)quinoline
CID 9927943
3-Benzyloxy-6,7-dimethoxy-quinoline
CID 10085863
6,7-Dimethoxy-4-(3-methoxyphenoxy)quinoline
CID 22132666
6,7-Dimethoxy-4-(3,4,5-trimethoxyphenoxy)quinoline-3-carbonitrile
CID 5330478
4-(2,3-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
CID 44331261
4-(4-(3-(3,4,5-Trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine
CID 25123474
4-(3,5-Dimethoxy-phenoxy)-6,7-dimethoxy-quinoline
CID 44330968
4-(3-Ethoxy-phenoxy)-6,7-dimethoxy-quinoline
CID 44331209
US10689362, Example 10
CID 134441935
US10689362, Example 3
CID 134442157
US10689362, Example 27
CID 134442183
US10689362, Example 5
CID 134442197

Frequently Asked Questions

What is the IUPAC name of 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile (CID 134442343) is 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile is CCOc1cc(Oc2ccc3ncc(OC)nc3c2C#N)ccc1OCc1ccc(OC)cc1.
What is the InChIKey of 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile?
The InChIKey is RCYYIRZSTVDIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c1-4-32-24-13-19(9-11-23(24)33-16-17-5-7-18(30-2)8-6-17)34-22-12-10-21-26(20(22)14-27)29-25(31-3)15-28-21/h5-13,15H,4,16H2,1-3H3.
What are the key properties of 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile?
6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile has a molecular weight of 457.49 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-ethoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-methoxyquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).