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

C28H26N4O5 — CID 134442183

IUPAC6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Oc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C28H26N4O5/c1-33-20-5-3-19(4-6-20)18-36-25-9-7-21(15-26(25)34-2)37-24-10-8-23-28(22(24)16-29)31-27(17-30-23)32-11-13-35-14-12-32/h3-10,15,17H,11-14,18H2,1-2H3
InChIKeyLXJVNWLJMBSZSP-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.73
Rot. Bonds8

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

6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile (PubChem CID 134442183) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile
PubChem CID134442183
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC Name6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile
SMILESCOc1ccc(COc2ccc(Oc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1
InChIInChI=1S/C28H26N4O5/c1-33-20-5-3-19(4-6-20)18-36-25-9-7-21(15-26(25)34-2)37-24-10-8-23-28(22(24)16-29)31-27(17-30-23)32-11-13-35-14-12-32/h3-10,15,17H,11-14,18H2,1-2H3
InChIKeyLXJVNWLJMBSZSP-UHFFFAOYSA-N
XLogP4.73
TPSA98.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Enrupatinib
CID 134442338
6-(quinolin-5-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879208
6-(quinolin-4-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879463
6-(quinolin-6-yloxy)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 24879464
US10689362, Example 89
CID 134442127
US10689362, Example 40
CID 134442342
US10689362, Example 91
CID 134442357
US10689362, Example 73
CID 134442361
US10689362, Example 110
CID 139557061
US10689362, Example 32
CID 139557062
US10689362, Example 111
CID 139557064
US10689362, Example 85
CID 139557065

Frequently Asked Questions

What is the IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The IUPAC name of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile (CID 134442183) is 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile.
What is the SMILES notation for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The canonical SMILES for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile is COc1ccc(COc2ccc(Oc3ccc4ncc(N5CCOCC5)nc4c3C#N)cc2OC)cc1.
What is the InChIKey of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
The InChIKey is LXJVNWLJMBSZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c1-33-20-5-3-19(4-6-20)18-36-25-9-7-21(15-26(25)34-2)37-24-10-8-23-28(22(24)16-29)31-27(17-30-23)32-11-13-35-14-12-32/h3-10,15,17H,11-14,18H2,1-2H3.
What are the key properties of 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile?
6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile has a molecular weight of 498.54 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenoxy]-3-morpholin-4-ylquinoxaline-5-carbonitrile is sourced from PubChem (CID 134442183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).