3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol

C20H22N4O2 — CID 4311773

IUPAC3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
SMILESCc1ccc(/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,25H,10-14H2,1H3/b22-21+
InChIKeyCCUONORJTUMTFB-QURGRASLSA-N
MW350.42 g/mol
LogP4.36
Rot. Bonds4

About 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol

3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol (PubChem CID 4311773) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol.

Molecular Properties

Compound Name3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
PubChem CID4311773
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol
SMILESCc1ccc(/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,25H,10-14H2,1H3/b22-21+
InChIKeyCCUONORJTUMTFB-QURGRASLSA-N
XLogP4.36
TPSA62.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 54.36
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
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(2-methylphenoxy)acetamide
CID 3624940
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-N-phenyloxamide
CID 3838815
1-[(2,6-dimethylmorpholin-4-yl)methyl]-3-phenyldiazenylindol-2-ol
CID 135689109
1-(3-chloro-2-methylphenyl)-3-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminothiourea
CID 4048737
2-[(4-chlorophenyl)methoxy]-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 137175115
2-(2-hydroxy-3-phenyldiazenylindol-1-yl)-N-(4-methylphenyl)acetamide
CID 3101781
N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-2-(4-nitrophenoxy)acetamide
CID 135537768
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
CID 4158642
4-[[2-hydroxy-1-(2-methylpropyl)indol-3-yl]diazenyl]benzoic acid
CID 135692431
4-[(3-bromocarbazol-9-yl)methyl]morpholine
CID 23934226

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol?
The IUPAC name of 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol (CID 4311773) is 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol.
What is the SMILES notation for 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol?
The canonical SMILES for 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol is Cc1ccc(/N=N/c2c(O)n(CN3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol?
The InChIKey is CCUONORJTUMTFB-QURGRASLSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-6-8-16(9-7-15)21-22-19-17-4-2-3-5-18(17)24(20(19)25)14-23-10-12-26-13-11-23/h2-9,25H,10-14H2,1H3/b22-21+.
What are the key properties of 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol?
3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol has a molecular weight of 350.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)diazenyl]-1-(morpholin-4-ylmethyl)indol-2-ol is sourced from PubChem (CID 4311773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).