N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide

C25H21N3O4 — CID 135621517

IUPACN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cc(O)ccc2O)c2ccccc2n1
InChIInChI=1S/C25H21N3O4/c1-15(19-13-16(29)11-12-23(19)30)27-28-25(31)20-14-22(18-8-4-6-10-24(18)32-2)26-21-9-5-3-7-17(20)21/h3-14,29-30H,1-2H3,(H,28,31)/b27-15+
InChIKeyJWNZJNZWNBHJSP-JFLMPSFJSA-N
MW427.46 g/mol
LogP4.48
Rot. Bonds5

About N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide

N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 135621517) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
PubChem CID135621517
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cc(O)ccc2O)c2ccccc2n1
InChIInChI=1S/C25H21N3O4/c1-15(19-13-16(29)11-12-23(19)30)27-28-25(31)20-14-22(18-8-4-6-10-24(18)32-2)26-21-9-5-3-7-17(20)21/h3-14,29-30H,1-2H3,(H,28,31)/b27-15+
InChIKeyJWNZJNZWNBHJSP-JFLMPSFJSA-N
XLogP4.48
TPSA104.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', '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-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
2-(1,3-benzodioxol-5-yl)-N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]quinoline-4-carboxamide
CID 135621531
N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide
CID 4073542
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 26871461
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 135815935
methyl 2-[[2-(2-methoxyphenyl)quinoline-4-carbonyl]amino]benzoate
CID 1012430
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 135554989
2-(2,4-dimethoxyphenyl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 5455046
2-(2-ethoxyphenyl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135801083
2-(2-methoxyphenyl)-N-[(Z)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 5455023
2-(2-methoxyphenyl)-N-(pyridin-3-ylmethylideneamino)quinoline-4-carboxamide
CID 1226438

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide (CID 135621517) is N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cc(O)ccc2O)c2ccccc2n1.
What is the InChIKey of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is JWNZJNZWNBHJSP-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-15(19-13-16(29)11-12-23(19)30)27-28-25(31)20-14-22(18-8-4-6-10-24(18)32-2)26-21-9-5-3-7-17(20)21/h3-14,29-30H,1-2H3,(H,28,31)/b27-15+.
What are the key properties of N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide?
N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 427.46 g/mol, XLogP of 4.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-(2-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 135621517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).