N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

C23H18N4O3 — CID 135666039

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1O
InChIInChI=1S/C23H18N4O3/c1-30-21-11-6-7-15(22(21)28)14-25-27-23(29)17-13-20(19-10-4-5-12-24-19)26-18-9-3-2-8-16(17)18/h2-14,28H,1H3,(H,27,29)/b25-14+
InChIKeyCBPHHFYSRSQBPS-AFUMVMLFSA-N
MW398.42 g/mol
LogP3.77
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 135666039) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID135666039
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
SMILESCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1O
InChIInChI=1S/C23H18N4O3/c1-30-21-11-6-7-15(22(21)28)14-25-27-23(29)17-13-20(19-10-4-5-12-24-19)26-18-9-3-2-8-16(17)18/h2-14,28H,1H3,(H,27,29)/b25-14+
InChIKeyCBPHHFYSRSQBPS-AFUMVMLFSA-N
XLogP3.77
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.77
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'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methylquinoline-4-carbohydrazide
CID 135645960
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
2-(3-methoxyphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 1012146
(E)-3-(3-hydroxy-4-methoxyphenyl)-2-methyl-1-quinolin-4-ylprop-2-en-1-one
CID 155516628
(E)-N'-(3-ethoxy-4-hydroxybenzylidene)-2-phenylquinoline-4-carbohydrazide
CID 135519152
N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433358
N'-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methylene]-2-(2-methoxyphenyl)-4-quinolinecarbohydrazide
CID 5433359
N'-[(E)-(3-Hydroxy-4-methoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6868891
N'-(3-hydroxy-4-methoxybenzylidene)-2-(3-methylphenyl)-4-quinolinecarbohydrazide
CID 6873420
2-(3-isobutoxyphenyl)-N'-(4-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6873425
2-(3-propoxyphenyl)-N'-(2-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6873485

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide (CID 135666039) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is COc1cccc(/C=N/NC(=O)c2cc(-c3ccccn3)nc3ccccc23)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is CBPHHFYSRSQBPS-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-30-21-11-6-7-15(22(21)28)14-25-27-23(29)17-13-20(19-10-4-5-12-24-19)26-18-9-3-2-8-16(17)18/h2-14,28H,1H3,(H,27,29)/b25-14+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 135666039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).