morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone

C28H27N3O5 — CID 25123154

IUPACmorpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3
InChIKeyOULZBAGEWRZSEB-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.46
Rot. Bonds6

About morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone

morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone (PubChem CID 25123154) has the molecular formula C28H27N3O5 and a molecular weight of 485.54 g/mol. Its IUPAC name is morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone
PubChem CID25123154
Molecular FormulaC28H27N3O5
Molecular Weight485.54 g/mol
Exact Mass485.20
IUPAC Namemorpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC
InChIInChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3
InChIKeyOULZBAGEWRZSEB-UHFFFAOYSA-N
XLogP4.46
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone?
The IUPAC name of morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone (CID 25123154) is morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone is COc1cc(-c2cnc3cccc(-c4ccc(C(=O)N5CCOCC5)cc4)c3n2)cc(OC)c1OC.
What is the InChIKey of morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone?
The InChIKey is OULZBAGEWRZSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O5/c1-33-24-15-20(16-25(34-2)27(24)35-3)23-17-29-22-6-4-5-21(26(22)30-23)18-7-9-19(10-8-18)28(32)31-11-13-36-14-12-31/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone?
morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone has a molecular weight of 485.54 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methanone is sourced from PubChem (CID 25123154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).