4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine

C29H31N3O4 — CID 25123808

IUPAC4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3
InChIKeyGIEHCMJOLMYDLH-UHFFFAOYSA-N
MW485.58 g/mol
LogP5.13
Rot. Bonds7

About 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine

4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 25123808) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID25123808
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3
InChIKeyGIEHCMJOLMYDLH-UHFFFAOYSA-N
XLogP5.13
TPSA65.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (CID 25123808) is 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is COc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)c(C)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is GIEHCMJOLMYDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3.
What are the key properties of 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine has a molecular weight of 485.58 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 25123808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).