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

C25H21N3O5 — CID 134441935

IUPAC3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Oc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C25H21N3O5/c1-29-17-6-4-16(5-7-17)15-32-22-10-8-18(12-23(22)30-2)33-21-11-9-20-25(19(21)13-26)28-24(31-3)14-27-20/h4-12,14H,15H2,1-3H3
InChIKeySKUIORNEBHOYPR-UHFFFAOYSA-N
MW443.46 g/mol
LogP4.90
Rot. Bonds8

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

3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile (PubChem CID 134441935) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile.

Molecular Properties

Compound Name3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile
PubChem CID134441935
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Name3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Oc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C25H21N3O5/c1-29-17-6-4-16(5-7-17)15-32-22-10-8-18(12-23(22)30-2)33-21-11-9-20-25(19(21)13-26)28-24(31-3)14-27-20/h4-12,14H,15H2,1-3H3
InChIKeySKUIORNEBHOYPR-UHFFFAOYSA-N
XLogP4.90
TPSA95.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 54.90
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 3
CID 134442157
US10689362, Example 27
CID 134442183
US10689362, Example 5
CID 134442197
US10689362, Example 20
CID 134442321

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile?
The IUPAC name of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile (CID 134441935) is 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile.
What is the SMILES notation for 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile?
The canonical SMILES for 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Oc3ccc4ncc(OC)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile?
The InChIKey is SKUIORNEBHOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-29-17-6-4-16(5-7-17)15-32-22-10-8-18(12-23(22)30-2)33-21-11-9-20-25(19(21)13-26)28-24(31-3)14-27-20/h4-12,14H,15H2,1-3H3.
What are the key properties of 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile?
3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile has a molecular weight of 443.46 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]quinoxaline-5-carbonitrile is sourced from PubChem (CID 134441935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).