6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine

C19H20BrN5O — CID 118687531

IUPAC6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine
SMILESCN(C)CCOc1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1
InChIInChI=1S/C19H20BrN5O/c1-25(2)9-10-26-16-7-5-15(6-8-16)23-24-18-17-11-14(20)4-3-13(17)12-22-19(18)21/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22)/b24-23+
InChIKeyASWPYJUIRRQKLD-WCWDXBQESA-N
MW414.31 g/mol
LogP4.94
Rot. Bonds6

About 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine

6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine (PubChem CID 118687531) has the molecular formula C19H20BrN5O and a molecular weight of 414.31 g/mol. Its IUPAC name is 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine
PubChem CID118687531
Molecular FormulaC19H20BrN5O
Molecular Weight414.31 g/mol
Exact Mass413.09
IUPAC Name6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine
SMILESCN(C)CCOc1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1
InChIInChI=1S/C19H20BrN5O/c1-25(2)9-10-26-16-7-5-15(6-8-16)23-24-18-17-11-14(20)4-3-13(17)12-22-19(18)21/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22)/b24-23+
InChIKeyASWPYJUIRRQKLD-WCWDXBQESA-N
XLogP4.94
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 54.94
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

4-[4-[(3-amino-6-bromoisoquinolin-4-yl)diazenyl]phenyl]-4-iminobutane-1-thiol
CID 157477554
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
CID 134913471
4-[3-[4-[(3-amino-6-bromoisoquinolin-4-yl)diazenyl]phenyl]-3-iminopropyl]-2-methylphenol
CID 158391443
10-[4-[[4-[10-(dimethylamino)decoxy]phenyl]diazenyl]phenoxy]-N,N-dimethyldecan-1-amine
CID 101082704
6-bromo-4-[3-(dimethylamino)propoxy]quinolin-3-amine
CID 61102494
[4-[6-[3,5-bis[6-[4-[(4-bromophenyl)diazenyl]phenoxy]hexoxy]phenoxy]hexoxy]phenyl]-(4-bromophenyl)diazene
CID 102136768
N,N-dimethyl-2-[4-[[[4-(1,3-oxazol-5-yl)phenyl]diazenyl]methyl]phenoxy]ethanamine
CID 91316983
4-aminobenzenecarboximidamide;6-bromo-3-chloroisoquinoline;bis(4-[[6-bromo-3-[4-(dimethylamino)butyl]isoquinolin-4-yl]diazenyl]benzenecarboximidamide);4-(6-bromoisoquinolin-3-yl)-N,N-dimethylbutan-1-amine;N',N'-dimethylpropane-1,3-diamine
CID 162249552
2-[6-[2-(dimethylamino)ethoxy]acridin-3-yl]oxy-N,N-dimethylethanamine
CID 20553504
3-bromo-8-[2-(dimethylamino)ethoxy]quinolin-5-amine
CID 106949847
2-[4-[5-[4-[2-(dimethylamino)ethoxy]phenyl]-3-pyridinyl]phenoxy]-N,N-dimethylethanamine
CID 11640057
ethyl 7-bromo-3-[2-(dimethylamino)ethoxy]naphthalene-2-carboxylate
CID 18476177

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine?
The IUPAC name of 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine (CID 118687531) is 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine?
The canonical SMILES for 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine is CN(C)CCOc1ccc(/N=N/c2c(N)ncc3ccc(Br)cc23)cc1.
What is the InChIKey of 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine?
The InChIKey is ASWPYJUIRRQKLD-WCWDXBQESA-N. The full InChI is InChI=1S/C19H20BrN5O/c1-25(2)9-10-26-16-7-5-15(6-8-16)23-24-18-17-11-14(20)4-3-13(17)12-22-19(18)21/h3-8,11-12H,9-10H2,1-2H3,(H2,21,22)/b24-23+.
What are the key properties of 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine?
6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine has a molecular weight of 414.31 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[[4-[2-(dimethylamino)ethoxy]phenyl]diazenyl]isoquinolin-3-amine is sourced from PubChem (CID 118687531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).