7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol

C22H21BrN4O3 — CID 135423821

IUPAC7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCOCC1
InChIInChI=1S/C22H21BrN4O3/c23-16-6-3-5-15-18(22(28)25-19(15)16)21-20(14-4-1-2-7-17(14)24-21)26-30-13-10-27-8-11-29-12-9-27/h1-7,25,28H,8-13H2/b26-20+
InChIKeyJVABVKOLMLLNEF-LHLOQNFPSA-N
MW469.34 g/mol
LogP3.82
Rot. Bonds5

About 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol

7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (PubChem CID 135423821) has the molecular formula C22H21BrN4O3 and a molecular weight of 469.34 g/mol. Its IUPAC name is 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
PubChem CID135423821
Molecular FormulaC22H21BrN4O3
Molecular Weight469.34 g/mol
Exact Mass468.08
IUPAC Name7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESOc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCOCC1
InChIInChI=1S/C22H21BrN4O3/c23-16-6-3-5-15-18(22(28)25-19(15)16)21-20(14-4-1-2-7-17(14)24-21)26-30-13-10-27-8-11-29-12-9-27/h1-7,25,28H,8-13H2/b26-20+
InChIKeyJVABVKOLMLLNEF-LHLOQNFPSA-N
XLogP3.82
TPSA82.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.34
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (CID 135423821) is 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is Oc1[nH]c2c(Br)cccc2c1C1=Nc2ccccc2/C1=N\OCCN1CCOCC1.
What is the InChIKey of 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The InChIKey is JVABVKOLMLLNEF-LHLOQNFPSA-N. The full InChI is InChI=1S/C22H21BrN4O3/c23-16-6-3-5-15-18(22(28)25-19(15)16)21-20(14-4-1-2-7-17(14)24-21)26-30-13-10-27-8-11-29-12-9-27/h1-7,25,28H,8-13H2/b26-20+.
What are the key properties of 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol has a molecular weight of 469.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(3E)-3-(2-morpholin-4-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 135423821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).