N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

C24H20N4O3 — CID 135722852

IUPACN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C24H20N4O3/c1-15(19-13-17(31-2)7-8-23(19)29)27-28-24(30)20-14-22(16-9-11-25-12-10-16)26-21-6-4-3-5-18(20)21/h3-14,29H,1-2H3,(H,28,30)/b27-15+
InChIKeyDAPDQKXQWZMXIO-JFLMPSFJSA-N
MW412.45 g/mol
LogP4.16
Rot. Bonds5

About N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 135722852) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID135722852
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC NameN-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1ccc(O)c(/C(C)=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C24H20N4O3/c1-15(19-13-17(31-2)7-8-23(19)29)27-28-24(30)20-14-22(16-9-11-25-12-10-16)26-21-6-4-3-5-18(20)21/h3-14,29H,1-2H3,(H,28,30)/b27-15+
InChIKeyDAPDQKXQWZMXIO-JFLMPSFJSA-N
XLogP4.16
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 135621517
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4694326
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935
2-(1,3-benzodioxol-5-yl)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 135621531
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55353125

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide (CID 135722852) is N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is COc1ccc(O)c(/C(C)=N/NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is DAPDQKXQWZMXIO-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-15(19-13-17(31-2)7-8-23(19)29)27-28-24(30)20-14-22(16-9-11-25-12-10-16)26-21-6-4-3-5-18(20)21/h3-14,29H,1-2H3,(H,28,30)/b27-15+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 135722852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).