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

C29H29N3O5 — CID 25123475

IUPAC[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
InChIKeyBUNXZYXBVGVIPQ-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.77
Rot. Bonds6

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

[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 25123475) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID25123475
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3
InChIKeyBUNXZYXBVGVIPQ-UHFFFAOYSA-N
XLogP4.77
TPSA83.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone (CID 25123475) is [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone is COc1cc(-c2cnc3cccc(-c4ccc(C(=O)N5CCOCC5)c(C)c4)c3n2)cc(OC)c1OC.
What is the InChIKey of [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is BUNXZYXBVGVIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-18-14-19(8-9-21(18)29(33)32-10-12-37-13-11-32)22-6-5-7-23-27(22)31-24(17-30-23)20-15-25(34-2)28(36-4)26(16-20)35-3/h5-9,14-17H,10-13H2,1-4H3.
What are the key properties of [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone?
[2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 499.57 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25123475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).