2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol

C19H20N6O2 — CID 123299489

IUPAC2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
SMILES[H]/N=N/c1ccc(C(C)=NOCCO)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C19H20N6O2/c1-13(25-27-10-9-26)16-6-7-18(24-20)19(23-16)22-12-14-4-5-17-15(11-14)3-2-8-21-17/h2-8,11,20,26H,9-10,12H2,1H3,(H,22,23)/b24-20+,25-13?
InChIKeyZPQVTYXKHOWZJI-NBYPZWDESA-N
MW364.41 g/mol
LogP3.64
Rot. Bonds8

About 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol

2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol (PubChem CID 123299489) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol.

Molecular Properties

Compound Name2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
PubChem CID123299489
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
SMILES[H]/N=N/c1ccc(C(C)=NOCCO)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C19H20N6O2/c1-13(25-27-10-9-26)16-6-7-18(24-20)19(23-16)22-12-14-4-5-17-15(11-14)3-2-8-21-17/h2-8,11,20,26H,9-10,12H2,1H3,(H,22,23)/b24-20+,25-13?
InChIKeyZPQVTYXKHOWZJI-NBYPZWDESA-N
XLogP3.64
TPSA115.84 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-[N-(2-aminoethoxy)-C-methylcarbonimidoyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 123774945
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123969609
2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
CID 155371997
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]oxyethanol
CID 58190478
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
CID 147859211
3-diazenyl-6-N-[4-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyrazine-2,6-diamine
CID 139321349
2-[(E)-1-[3-(quinolin-6-ylmethyl)imidazo[1,2-a]pyrimidin-6-yl]ethylideneamino]oxyethanol
CID 58190524
4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123184936
2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)pyrazin-2-yl]amino]-N-methylpyridine-4-carboxamide
CID 139321257
3,5-dimethyl-N-(quinolin-6-ylmethyl)aniline
CID 28776356

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol?
The IUPAC name of 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol (CID 123299489) is 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol.
What is the SMILES notation for 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol?
The canonical SMILES for 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol is [H]/N=N/c1ccc(C(C)=NOCCO)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol?
The InChIKey is ZPQVTYXKHOWZJI-NBYPZWDESA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13(25-27-10-9-26)16-6-7-18(24-20)19(23-16)22-12-14-4-5-17-15(11-14)3-2-8-21-17/h2-8,11,20,26H,9-10,12H2,1H3,(H,22,23)/b24-20+,25-13?.
What are the key properties of 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol?
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol has a molecular weight of 364.41 g/mol, XLogP of 3.64, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol is sourced from PubChem (CID 123299489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).