1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol

C21H24N4O2 — CID 135689109

IUPAC1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol
SMILESCC1CN(Cn2c(O)c(/N=N/c3ccccc3)c3ccccc32)CC(C)O1
InChIInChI=1S/C21H24N4O2/c1-15-12-24(13-16(2)27-15)14-25-19-11-7-6-10-18(19)20(21(25)26)23-22-17-8-4-3-5-9-17/h3-11,15-16,26H,12-14H2,1-2H3/b23-22+
InChIKeyLACRRMWACZBSND-GHVJWSGMSA-N
MW364.45 g/mol
LogP4.83
Rot. Bonds4

About 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol

1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol (PubChem CID 135689109) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol.

Molecular Properties

Compound Name1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol
PubChem CID135689109
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol
SMILESCC1CN(Cn2c(O)c(/N=N/c3ccccc3)c3ccccc32)CC(C)O1
InChIInChI=1S/C21H24N4O2/c1-15-12-24(13-16(2)27-15)14-25-19-11-7-6-10-18(19)20(21(25)26)23-22-17-8-4-3-5-9-17/h3-11,15-16,26H,12-14H2,1-2H3/b23-22+
InChIKeyLACRRMWACZBSND-GHVJWSGMSA-N
XLogP4.83
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

1-[(4-methylpiperazin-1-yl)methyl]-3-phenyldiazenylindol-2-ol
CID 3292938
4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
CID 135692431
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
1-(2,3-dimethylphenyl)-3-[1-[[(3R,5R)-3,5-dimethylpiperidin-1-yl]methyl]-2-hydroxyindol-3-yl]iminothiourea
CID 136754531
3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-benzoxazol-2-one
CID 25377942
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
1-ethyl-3-[(3-nitrophenyl)diazenyl]indol-2-ol
CID 3899807
4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 135671924
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 3624940
1-benzyl-3-[(2,4,6-trichlorophenyl)diazenyl]indol-2-ol
CID 4989962
2-[(E)-benzylideneamino]oxy-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135421185
N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 5030390

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol?
The IUPAC name of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol (CID 135689109) is 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol.
What is the SMILES notation for 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol?
The canonical SMILES for 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol is CC1CN(Cn2c(O)c(/N=N/c3ccccc3)c3ccccc32)CC(C)O1.
What is the InChIKey of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol?
The InChIKey is LACRRMWACZBSND-GHVJWSGMSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-12-24(13-16(2)27-15)14-25-19-11-7-6-10-18(19)20(21(25)26)23-22-17-8-4-3-5-9-17/h3-11,15-16,26H,12-14H2,1-2H3/b23-22+.
What are the key properties of 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol?
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol has a molecular weight of 364.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol is sourced from PubChem (CID 135689109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).