N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C25H21N3O3 — CID 6884659

IUPACN-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1O
InChIInChI=1S/C25H21N3O3/c1-2-31-24-13-12-17(14-23(24)29)16-26-28-25(30)20-15-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-16,29H,2H2,1H3,(H,28,30)/b26-16+
InChIKeyMHFIMUYJLNGOIR-WGOQTCKBSA-N
MW411.46 g/mol
LogP4.77
Rot. Bonds6

About N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 6884659) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID6884659
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1O
InChIInChI=1S/C25H21N3O3/c1-2-31-24-13-12-17(14-23(24)29)16-26-28-25(30)20-15-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-16,29H,2H2,1H3,(H,28,30)/b26-16+
InChIKeyMHFIMUYJLNGOIR-WGOQTCKBSA-N
XLogP4.77
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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
N'-(2-furylmethylene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 6873468
2-(2-ethoxyphenyl)-N'-(3-pyridinylmethylene)-4-quinolinecarbohydrazide
CID 6874743
2-(2-methoxyphenyl)-N'-[(5-methyl-2-furyl)methylene]-4-quinolinecarbohydrazide
CID 6874987
N'-(2,3-dimethoxybenzylidene)-2-(3-methoxyphenyl)-4-quinolinecarbohydrazide
CID 9617684
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6880179
N'-[(1E)-(4-hydroxyphenyl)methylene]-2-phenylquinoline-4-carbohydrazide
CID 135501377
4-[(E)-3-(3-hydroxy-4-methoxyphenyl)-2-methylprop-2-enoyl]quinoline-2-carbaldehyde
CID 141746319
(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
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxylic acid
CID 682378

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 6884659) is N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1O.
What is the InChIKey of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is MHFIMUYJLNGOIR-WGOQTCKBSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-2-31-24-13-12-17(14-23(24)29)16-26-28-25(30)20-15-22(18-8-4-3-5-9-18)27-21-11-7-6-10-19(20)21/h3-16,29H,2H2,1H3,(H,28,30)/b26-16+.
What are the key properties of N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-ethoxy-3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 6884659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).