1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone

C29H29N3O5 — CID 25123155

IUPAC1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
InChIKeyMXIOGEZGIZYSII-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.39
Rot. Bonds7

About 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone

1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone (PubChem CID 25123155) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone
PubChem CID25123155
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3
InChIKeyMXIOGEZGIZYSII-UHFFFAOYSA-N
XLogP4.39
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone (CID 25123155) is 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone is COc1cc(-c2cnc3cccc(-c4ccc(CC(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone?
The InChIKey is MXIOGEZGIZYSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-34-25-16-21(17-26(35-2)29(25)36-3)24-18-30-23-6-4-5-22(28(23)31-24)20-9-7-19(8-10-20)15-27(33)32-11-13-37-14-12-32/h4-10,16-18H,11-15H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone?
1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone has a molecular weight of 499.57 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone is sourced from PubChem (CID 25123155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).