2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide

C24H21ClN6O3 — CID 155371997

IUPAC2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
SMILES[H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(Cl)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C24H21ClN6O3/c25-19-13-17(4-5-18(19)24(33)31-34-11-10-32)21-7-8-22(30-26)23(29-21)28-14-15-3-6-20-16(12-15)2-1-9-27-20/h1-9,12-13,26,32H,10-11,14H2,(H,28,29)(H,31,33)/b30-26+
InChIKeyFKGQTOPBUAKKQV-URGPHPNLSA-N
MW476.92 g/mol
LogP4.88
Rot. Bonds9

About 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide

2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide (PubChem CID 155371997) has the molecular formula C24H21ClN6O3 and a molecular weight of 476.92 g/mol. Its IUPAC name is 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
PubChem CID155371997
Molecular FormulaC24H21ClN6O3
Molecular Weight476.92 g/mol
Exact Mass476.14
IUPAC Name2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide
SMILES[H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(Cl)c2)nc1NCc1ccc2ncccc2c1
InChIInChI=1S/C24H21ClN6O3/c25-19-13-17(4-5-18(19)24(33)31-34-11-10-32)21-7-8-22(30-26)23(29-21)28-14-15-3-6-20-16(12-15)2-1-9-27-20/h1-9,12-13,26,32H,10-11,14H2,(H,28,29)(H,31,33)/b30-26+
InChIKeyFKGQTOPBUAKKQV-URGPHPNLSA-N
XLogP4.88
TPSA132.58 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.92
LogP ≤ 54.88
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
4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123184936
4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-2,6-difluoro-N-(2-hydroxy-2-methylpropoxy)benzamide
CID 123958809
2-[1-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]ethylideneamino]oxyethanol
CID 123299489
2-chloro-N-propoxy-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123460431
trans-(1R,2R)-2-[[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]amino]cyclopentan-1-ol
CID 163885686
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)oxy-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 71767761
2-chloro-N-(2-hydroxypropoxy)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123181910
6-[6-(2-methoxyethoxy)-3-pyridinyl]-2-N-(quinolin-6-ylmethyl)pyridine-2,3-diamine
CID 139321368
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-N-(1H-1,2,4-triazol-5-yl)benzamide
CID 58514800
6-bromo-3-diazenyl-N-(quinolin-6-ylmethyl)pyrazin-2-amine
CID 147859211
2-chloro-4-[8-(quinolin-6-ylmethyl)-2,7,8-triazabicyclo[4.2.0]octa-1(6),2,4-trien-3-yl]benzamide
CID 123694813

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide (CID 155371997) is 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide is [H]/N=N/c1ccc(-c2ccc(C(=O)NOCCO)c(Cl)c2)nc1NCc1ccc2ncccc2c1.
What is the InChIKey of 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide?
The InChIKey is FKGQTOPBUAKKQV-URGPHPNLSA-N. The full InChI is InChI=1S/C24H21ClN6O3/c25-19-13-17(4-5-18(19)24(33)31-34-11-10-32)21-7-8-22(30-26)23(29-21)28-14-15-3-6-20-16(12-15)2-1-9-27-20/h1-9,12-13,26,32H,10-11,14H2,(H,28,29)(H,31,33)/b30-26+.
What are the key properties of 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide?
2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide has a molecular weight of 476.92 g/mol, XLogP of 4.88, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[5-diazenyl-6-(quinolin-6-ylmethylamino)-2-pyridinyl]-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 155371997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).