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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Related Compounds

6-methyl-3-[(4-piperidin-1-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 137006190
6-fluoro-3-[(3-fluoro-4-morpholin-4-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135605323
6-chloro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 137006478
1-(4-bromophenyl)-6-hydroxy-5-[(4-morpholin-4-ylphenyl)iminomethyl]-2-sulfanylidenepyrimidin-4-one
CID 4657995
6-bromo-3-[[4-(pyridin-4-ylmethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135484624
1-(3-bromophenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 4665354
N-[3-[2-hydroxy-3-[(4-morpholin-4-ylphenyl)iminomethyl]-1H-indole-5-carbonyl]phenyl]acetamide
CID 135441376
5-fluoro-3-[[4-(4-methylpiperazin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 135482238
5-bromo-3-[(4-chlorophenyl)iminomethyl]-1H-indol-2-ol
CID 137006304
4-bromo-3-[(4-morpholin-4-ylphenyl)iminomethyl]phenol
CID 5166404
1-(3,5-dibromo-4-methoxyphenyl)-N-(4-morpholin-4-ylphenyl)methanimine
CID 3296589
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996251

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).