N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide

C25H21N3O3 — CID 6873420

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1O
InChIInChI=1S/C25H21N3O3/c1-16-6-5-7-18(12-16)22-14-20(19-8-3-4-9-21(19)27-22)25(30)28-26-15-17-10-11-24(31-2)23(29)13-17/h3-15,29H,1-2H3,(H,28,30)/b26-15+
InChIKeyBAVOOOXITVEAQN-CVKSISIWSA-N
MW411.46 g/mol
LogP4.69
Rot. Bonds5

About N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 6873420) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID6873420
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1O
InChIInChI=1S/C25H21N3O3/c1-16-6-5-7-18(12-16)22-14-20(19-8-3-4-9-21(19)27-22)25(30)28-26-15-17-10-11-24(31-2)23(29)13-17/h3-15,29H,1-2H3,(H,28,30)/b26-15+
InChIKeyBAVOOOXITVEAQN-CVKSISIWSA-N
XLogP4.69
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.69
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'}

Analyze N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]-1H-indole-2-carbohydrazide
CID 135580822
N'-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methylquinoline-4-carbohydrazide
CID 135645960
2-(3-ethoxyphenyl)-N'-[4-methoxy-3-(4-morpholinylmethyl)benzylidene]-4-quinolinecarbohydrazide
CID 6873346
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)-1-[2-(ethylamino)quinolin-4-yl]-3-(3-hydroxy-4-methoxyphenyl)-2-methylprop-2-en-1-one
CID 155532423
4-[(3,4-Dimethoxyphenyl)methylidene]-1,2,3,4-tetrahydroacridine-9-carboxylic acid
CID 6533450
N-[(3,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 2446246

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide (CID 6873420) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide is COc1ccc(/C=N/NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1O.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is BAVOOOXITVEAQN-CVKSISIWSA-N. The full InChI is InChI=1S/C25H21N3O3/c1-16-6-5-7-18(12-16)22-14-20(19-8-3-4-9-21(19)27-22)25(30)28-26-15-17-10-11-24(31-2)23(29)13-17/h3-15,29H,1-2H3,(H,28,30)/b26-15+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 411.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6873420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).