2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone

C24H23N5O3 — CID 134216761

IUPAC2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
SMILESO=C(CO)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C24H23N5O3/c30-17-24(31)18-1-3-19(4-2-18)25-26-20-5-7-21(8-6-20)27-28-22-9-11-23(12-10-22)29-13-15-32-16-14-29/h1-12,30H,13-17H2/b26-25+,28-27+
InChIKeyQWRWUDMWGAOKSG-PAMTUDGESA-N
MW429.48 g/mol
LogP5.53
Rot. Bonds7

About 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone

2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone (PubChem CID 134216761) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
PubChem CID134216761
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone
SMILESO=C(CO)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1
InChIInChI=1S/C24H23N5O3/c30-17-24(31)18-1-3-19(4-2-18)25-26-20-5-7-21(8-6-20)27-28-22-9-11-23(12-10-22)29-13-15-32-16-14-29/h1-12,30H,13-17H2/b26-25+,28-27+
InChIKeyQWRWUDMWGAOKSG-PAMTUDGESA-N
XLogP5.53
TPSA99.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-(4-morpholin-4-ylphenyl)ethanone
CID 130136658
(4-morpholin-4-ylphenyl)-[4-(4-morpholin-4-ylphenyl)phenyl]diazene
CID 118528758
2-(4-morpholin-4-ylphenyl)prop-2-en-1-ol
CID 118140853
4-morpholin-4-ylbenzenecarbothioic S-acid
CID 20689810
8-(4-morpholin-4-ylphenyl)-8-oxooctanoic acid
CID 68621761
4-[[4-[(4-piperidin-1-ylphenyl)diazenyl]phenyl]diazenyl]benzoic acid
CID 129101829
ethane;(4-methylphenyl)-[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazene
CID 157373423
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
2-(4-morpholin-4-ylphenyl)-1-phenylethanone
CID 22052973
3-(4-bromophenyl)-1-(4-morpholin-4-ylphenyl)propan-1-one
CID 91755643
1-(4-morpholin-4-ylphenyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 75486984
2-cyano-N-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]acetamide
CID 84580719

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone (CID 134216761) is 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone is O=C(CO)c1ccc(/N=N/c2ccc(/N=N/c3ccc(N4CCOCC4)cc3)cc2)cc1.
What is the InChIKey of 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone?
The InChIKey is QWRWUDMWGAOKSG-PAMTUDGESA-N. The full InChI is InChI=1S/C24H23N5O3/c30-17-24(31)18-1-3-19(4-2-18)25-26-20-5-7-21(8-6-20)27-28-22-9-11-23(12-10-22)29-13-15-32-16-14-29/h1-12,30H,13-17H2/b26-25+,28-27+.
What are the key properties of 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone?
2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone has a molecular weight of 429.48 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-[[4-[(4-morpholin-4-ylphenyl)diazenyl]phenyl]diazenyl]phenyl]ethanone is sourced from PubChem (CID 134216761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).