6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol

C19H18BrN3O2 — CID 135481875

IUPAC6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(Br)ccc2c1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18BrN3O2/c20-13-1-6-16-17(19(24)22-18(16)11-13)12-21-14-2-4-15(5-3-14)23-7-9-25-10-8-23/h1-6,11-12,22,24H,7-10H2/b21-12+
InChIKeyXEHCZPYHTGGZFV-CIAFOILYSA-N
MW400.28 g/mol
LogP4.22
Rot. Bonds3

About 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol

6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol (PubChem CID 135481875) has the molecular formula C19H18BrN3O2 and a molecular weight of 400.28 g/mol. Its IUPAC name is 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
PubChem CID135481875
Molecular FormulaC19H18BrN3O2
Molecular Weight400.28 g/mol
Exact Mass399.06
IUPAC Name6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2cc(Br)ccc2c1/C=N/c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C19H18BrN3O2/c20-13-1-6-16-17(19(24)22-18(16)11-13)12-21-14-2-4-15(5-3-14)23-7-9-25-10-8-23/h1-6,11-12,22,24H,7-10H2/b21-12+
InChIKeyXEHCZPYHTGGZFV-CIAFOILYSA-N
XLogP4.22
TPSA60.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
The IUPAC name of 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol (CID 135481875) is 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
The canonical SMILES for 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol is Oc1[nH]c2cc(Br)ccc2c1/C=N/c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
The InChIKey is XEHCZPYHTGGZFV-CIAFOILYSA-N. The full InChI is InChI=1S/C19H18BrN3O2/c20-13-1-6-16-17(19(24)22-18(16)11-13)12-21-14-2-4-15(5-3-14)23-7-9-25-10-8-23/h1-6,11-12,22,24H,7-10H2/b21-12+.
What are the key properties of 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol?
6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol has a molecular weight of 400.28 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 135481875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).