3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline

C20H24N6 — CID 118266139

IUPAC3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(CCNCc2ccc3ccc(/N=N/N)nc3c2)c1
InChIInChI=1S/C20H24N6/c1-26(2)18-5-3-4-15(12-18)10-11-22-14-16-6-7-17-8-9-20(24-25-21)23-19(17)13-16/h3-9,12-13,22H,10-11,14H2,1-2H3,(H2,21,23,24)
InChIKeyQSDPFZZSVSYKQJ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.59
Rot. Bonds7

About 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline

3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline (PubChem CID 118266139) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline
PubChem CID118266139
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(CCNCc2ccc3ccc(/N=N/N)nc3c2)c1
InChIInChI=1S/C20H24N6/c1-26(2)18-5-3-4-15(12-18)10-11-22-14-16-6-7-17-8-9-20(24-25-21)23-19(17)13-16/h3-9,12-13,22H,10-11,14H2,1-2H3,(H2,21,23,24)
InChIKeyQSDPFZZSVSYKQJ-UHFFFAOYSA-N
XLogP3.59
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[[2-(3-fluorophenyl)ethylamino]methyl]quinolin-2-amine
CID 72771077
2-(3-methylphenyl)-N-[(3-methylphenyl)methyl]ethanamine
CID 55062468
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350
1-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111135081
3-(4-aminobutyl)-N,N-dimethylaniline
CID 117283311
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)ethyl]-2-methylguanidine
CID 111230867
7-[[2-(2-bromophenyl)ethylamino]methyl]-3-methylquinolin-2-amine
CID 44532072
2-[4-[2-[3-(dimethylamino)phenyl]ethyl]phenyl]acetohydrazide
CID 44539467
N-[(2-methylquinolin-6-yl)methyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 102609729
1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[[3-(dimethylamino)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 111381094
2-(3-chlorophenyl)-N-(1H-indol-6-ylmethyl)ethanamine
CID 53274413
1-[[3-(dimethylamino)phenyl]methyl]-2-methyl-3-(2-pyridin-2-ylethyl)guanidine
CID 111194716

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline?
The IUPAC name of 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline (CID 118266139) is 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline is CN(C)c1cccc(CCNCc2ccc3ccc(/N=N/N)nc3c2)c1.
What is the InChIKey of 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline?
The InChIKey is QSDPFZZSVSYKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-26(2)18-5-3-4-15(12-18)10-11-22-14-16-6-7-17-8-9-20(24-25-21)23-19(17)13-16/h3-9,12-13,22H,10-11,14H2,1-2H3,(H2,21,23,24).
What are the key properties of 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline?
3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline has a molecular weight of 348.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(aminodiazenyl)quinolin-7-yl]methylamino]ethyl]-N,N-dimethylaniline is sourced from PubChem (CID 118266139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).