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

C29H31N3O4 — CID 46885231

IUPAC4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)cc4C)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3
InChIKeyBJKIDAJALFVMDP-UHFFFAOYSA-N
MW485.58 g/mol
LogP5.13
Rot. Bonds7

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

4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 46885231) has the molecular formula C29H31N3O4 and a molecular weight of 485.58 g/mol. Its IUPAC name is 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID46885231
Molecular FormulaC29H31N3O4
Molecular Weight485.58 g/mol
Exact Mass485.23
IUPAC Name4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCOc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)cc4C)c3n2)cc(OC)c1OC
InChIInChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3
InChIKeyBJKIDAJALFVMDP-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

Analyze 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

Octaverine
CID 68363
7-Methoxy-8-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330444
7-Methoxy-8-[2-(morpholin-4-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330445
2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium chloride
CID 124193
8-Methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330432
8-Methoxy-7-[2-(morpholin-4-yl)ethoxy]-4-[(3,4,5-trimethoxyphenyl)amino]benzo[g]quinoline-3-carbonitrile
CID 5330433
N-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]benzenesulfonamide
CID 25128110
O-Methylfagaronine
CID 39898
Morpholino(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)phenyl)methanone
CID 25123154
1-Morpholino-2-(4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)phenyl)ethanone
CID 25123155
1-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-[4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]ethanone
CID 25123472
4-(4-(3-(3,4,5-Trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine
CID 25123474

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine (CID 46885231) is 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is COc1cc(-c2cnc3cccc(-c4ccc(CN5CCOCC5)cc4C)c3n2)cc(OC)c1OC.
What is the InChIKey of 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is BJKIDAJALFVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N3O4/c1-19-14-20(18-32-10-12-36-13-11-32)8-9-22(19)23-6-5-7-24-28(23)31-25(17-30-24)21-15-26(33-2)29(35-4)27(16-21)34-3/h5-9,14-17H,10-13,18H2,1-4H3.
What are the key properties of 4-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[3-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-[[3-methyl-4-[3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 46885231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).