N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide

C18H15N3O4 — CID 135519979

IUPACN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H15N3O4/c1-25-12-6-7-16(22)11(8-12)10-19-21-18(24)14-9-17(23)20-15-5-3-2-4-13(14)15/h2-10,22H,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyWZBQYQBUYAHOBC-VXLYETTFSA-N
MW337.34 g/mol
LogP2.01
Rot. Bonds4

About N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 135519979) has the molecular formula C18H15N3O4 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID135519979
Molecular FormulaC18H15N3O4
Molecular Weight337.34 g/mol
Exact Mass337.11
IUPAC NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)c1
InChIInChI=1S/C18H15N3O4/c1-25-12-6-7-16(22)11(8-12)10-19-21-18(24)14-9-17(23)20-15-5-3-2-4-13(14)15/h2-10,22H,1H3,(H,20,23)(H,21,24)/b19-10+
InChIKeyWZBQYQBUYAHOBC-VXLYETTFSA-N
XLogP2.01
TPSA103.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135519990
N'-(2-hydroxy-5-methoxybenzylidene)-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403111
N'-(3,4-dimethoxybenzylidene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347123
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(3-methylphenyl)-4-oxobutanamide
CID 135403927
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135752415
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135821508
2-[6-[[2-(Dimethylamino)phenyl]methyl-ethylamino]hexyl]-6-(2-hydroxy-5-methoxyphenyl)pyridazin-3-one
CID 168269015
N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135411841
N'-[(E)-(2-hydroxyquinolin-3-yl)methylidene]-4-methoxybenzohydrazide
CID 135460622
N-(4-methylphenyl)-4-oxo-4-{(2E)-2-[(4-oxo-4H-chromen-3-yl)methylene]hydrazino}butanamide
CID 6869113
N-(3-{N'-[(E)-(2-Methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)-2-methylbenzamide
CID 46496192

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide (CID 135519979) is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is COc1ccc(O)c(/C=N/NC(=O)c2cc(=O)[nH]c3ccccc23)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is WZBQYQBUYAHOBC-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15N3O4/c1-25-12-6-7-16(22)11(8-12)10-19-21-18(24)14-9-17(23)20-15-5-3-2-4-13(14)15/h2-10,22H,1H3,(H,20,23)(H,21,24)/b19-10+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide?
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 135519979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).