[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene

C27H32N4O4 — CID 91396544

IUPAC[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
SMILESCOc1cccc(CCOc2cc(/N=N/Cc3cccc(C)c3)nc(N3CCOCC3)c2)c1OC
InChIInChI=1S/C27H32N4O4/c1-20-6-4-7-21(16-20)19-28-30-25-17-23(18-26(29-25)31-11-14-34-15-12-31)35-13-10-22-8-5-9-24(32-2)27(22)33-3/h4-9,16-18H,10-15,19H2,1-3H3/b30-28+
InChIKeyOROFZPJUNAILOV-SJCQXOIGSA-N
MW476.58 g/mol
LogP5.15
Rot. Bonds10

About [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene

[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene (PubChem CID 91396544) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene.

Molecular Properties

Compound Name[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
PubChem CID91396544
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
SMILESCOc1cccc(CCOc2cc(/N=N/Cc3cccc(C)c3)nc(N3CCOCC3)c2)c1OC
InChIInChI=1S/C27H32N4O4/c1-20-6-4-7-21(16-20)19-28-30-25-17-23(18-26(29-25)31-11-14-34-15-12-31)35-13-10-22-8-5-9-24(32-2)27(22)33-3/h4-9,16-18H,10-15,19H2,1-3H3/b30-28+
InChIKeyOROFZPJUNAILOV-SJCQXOIGSA-N
XLogP5.15
TPSA77.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-4-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91383917
(2,6-dimorpholin-4-ylpyrimidin-4-yl)-[(3-methylphenyl)methyl]diazene
CID 91896224
[6-[2-(1H-indol-3-yl)ethoxy]-4-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene
CID 91022452
2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl N-(4-methylphenyl)carbamate
CID 91376685
(3-methylphenyl)methyl-[4-morpholin-4-yl-6-(2-pyrazin-2-ylethoxy)-2-pyridinyl]diazene
CID 91221280
4-[2-[2-(2,3-dimethoxyphenyl)ethoxy]-6-(4-methylphenoxy)quinazolin-4-yl]morpholine
CID 91424946
4-[[6-[(3-methylphenyl)methyldiazenyl]-4-morpholin-4-yl-2-pyridinyl]oxy]butanenitrile
CID 91056793
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-yl-2-pyridinyl]propan-1-ol
CID 91061886
2-methoxy-6-[[(6-morpholin-4-ylpyrimidin-4-yl)diazenyl]methyl]phenol
CID 91897136
3-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]propyl N-(4-nitrophenyl)carbamate
CID 90751088
1-cyano-2-[2-[4-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-2-yl]oxyethyl]-3-phenylguanidine
CID 90880187
3-[2-[(3-methylphenyl)methyldiazenyl]-6-morpholin-4-ylpyrimidin-4-yl]propylboronic acid
CID 91101589

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The IUPAC name of [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene (CID 91396544) is [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene.
What is the SMILES notation for [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The canonical SMILES for [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene is COc1cccc(CCOc2cc(/N=N/Cc3cccc(C)c3)nc(N3CCOCC3)c2)c1OC.
What is the InChIKey of [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
The InChIKey is OROFZPJUNAILOV-SJCQXOIGSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-20-6-4-7-21(16-20)19-28-30-25-17-23(18-26(29-25)31-11-14-34-15-12-31)35-13-10-22-8-5-9-24(32-2)27(22)33-3/h4-9,16-18H,10-15,19H2,1-3H3/b30-28+.
What are the key properties of [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene?
[4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene has a molecular weight of 476.58 g/mol, XLogP of 5.15, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,3-dimethoxyphenyl)ethoxy]-6-morpholin-4-yl-2-pyridinyl]-[(3-methylphenyl)methyl]diazene is sourced from PubChem (CID 91396544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).