4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide

C25H23FN6O3 — CID 123184936

IUPAC4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
SMILES[H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(C)c2)nc1NCc1cc2cccnc2cc1F
InChIInChI=1S/C25H23FN6O3/c1-15-11-17(4-5-19(15)25(34)32-35-10-9-33)21-6-7-22(31-27)24(30-21)29-14-18-12-16-3-2-8-28-23(16)13-20(18)26/h2-8,11-13,27,33H,9-10,14H2,1H3,(H,29,30)(H,32,34)/b31-27+
InChIKeyUKCMGTJBGWNMIH-TVKQRKNISA-N
MW474.50 g/mol
LogP4.67
Rot. Bonds9

About 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide

4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide (PubChem CID 123184936) has the molecular formula C25H23FN6O3 and a molecular weight of 474.50 g/mol. Its IUPAC name is 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide.

Molecular Properties

Compound Name4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
PubChem CID123184936
Molecular FormulaC25H23FN6O3
Molecular Weight474.50 g/mol
Exact Mass474.18
IUPAC Name4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
SMILES[H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(C)c2)nc1NCc1cc2cccnc2cc1F
InChIInChI=1S/C25H23FN6O3/c1-15-11-17(4-5-19(15)25(34)32-35-10-9-33)21-6-7-22(31-27)24(30-21)29-14-18-12-16-3-2-8-28-23(16)13-20(18)26/h2-8,11-13,27,33H,9-10,14H2,1H3,(H,29,30)(H,32,34)/b31-27+
InChIKeyUKCMGTJBGWNMIH-TVKQRKNISA-N
XLogP4.67
TPSA132.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.50
LogP ≤ 54.67
H-Bond Donors ≤ 54
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide
CID 71766032
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
N-[(7-fluoroquinolin-6-yl)methyl]-3-hydrazinyl-6-(1-methylpyrazol-4-yl)pyridin-2-amine
CID 155149959
2-[[2-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoyl]amino]oxyethyl 2-methylpropanoate
CID 71767484
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
4-bromo-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 165437737
ethane;6-ethyl-7-fluoroquinoline
CID 142320503
6-(4-ethenyl-3-methylphenyl)-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 155372052
4-[5-amino-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2-fluoro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 123497239

Frequently Asked Questions

What is the IUPAC name of 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
The IUPAC name of 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide (CID 123184936) is 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide.
What is the SMILES notation for 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
The canonical SMILES for 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide is [H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(C)c2)nc1NCc1cc2cccnc2cc1F.
What is the InChIKey of 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
The InChIKey is UKCMGTJBGWNMIH-TVKQRKNISA-N. The full InChI is InChI=1S/C25H23FN6O3/c1-15-11-17(4-5-19(15)25(34)32-35-10-9-33)21-6-7-22(31-27)24(30-21)29-14-18-12-16-3-2-8-28-23(16)13-20(18)26/h2-8,11-13,27,33H,9-10,14H2,1H3,(H,29,30)(H,32,34)/b31-27+.
What are the key properties of 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide?
4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide has a molecular weight of 474.50 g/mol, XLogP of 4.67, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide is sourced from PubChem (CID 123184936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).