N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide

C14H16BrN4O3+ — CID 135619155

IUPACN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H15BrN4O3/c15-9-1-2-11-10(7-9)13(14(21)16-11)18-17-12(20)8-19-3-5-22-6-4-19/h1-2,7,16,21H,3-6,8H2/p+1/b18-17+
InChIKeyDUWXSCULAGXYDP-ISLYRVAYSA-O
MW368.21 g/mol
LogP1.16
Rot. Bonds3

About N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide

N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 135619155) has the molecular formula C14H16BrN4O3+ and a molecular weight of 368.21 g/mol. Its IUPAC name is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide
PubChem CID135619155
Molecular FormulaC14H16BrN4O3+
Molecular Weight368.21 g/mol
Exact Mass367.04
IUPAC NameN-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)/N=N/c1c(O)[nH]c2ccc(Br)cc12
InChIInChI=1S/C14H15BrN4O3/c15-9-1-2-11-10(7-9)13(14(21)16-11)18-17-12(20)8-19-3-5-22-6-4-19/h1-2,7,16,21H,3-6,8H2/p+1/b18-17+
InChIKeyDUWXSCULAGXYDP-ISLYRVAYSA-O
XLogP1.16
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

N,N'-bis[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4014458
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]hexanamide
CID 4955559
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-bromo-2-methylphenoxy)acetamide
CID 5090132
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-chlorophenyl)sulfanylacetamide
CID 137118543
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-3-hydroxybenzamide
CID 1381490
3-bromo-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1034759
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 135771220
4-amino-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]benzamide
CID 1368694
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(4-cyclohexylphenoxy)acetamide
CID 137172279
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 137083434
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-4-[[(2S,3R)-3-[4-[(5-bromo-2-hydroxy-1H-indol-3-yl)iminocarbamoyl]phenoxy]-1,4-dioxan-2-yl]oxy]benzamide
CID 136911774
1-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea
CID 135612456

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide (CID 135619155) is N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)/N=N/c1c(O)[nH]c2ccc(Br)cc12.
What is the InChIKey of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is DUWXSCULAGXYDP-ISLYRVAYSA-O. The full InChI is InChI=1S/C14H15BrN4O3/c15-9-1-2-11-10(7-9)13(14(21)16-11)18-17-12(20)8-19-3-5-22-6-4-19/h1-2,7,16,21H,3-6,8H2/p+1/b18-17+.
What are the key properties of N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide?
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 368.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 135619155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).