N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

C25H21N3O4 — CID 6901331

IUPACN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1O
InChIInChI=1S/C25H21N3O4/c1-31-22-12-9-18(14-21(22)29)15-27-28-25(30)20-10-7-17(8-11-20)16-32-23-6-2-4-19-5-3-13-26-24(19)23/h2-15,29H,16H2,1H3,(H,28,30)/b27-15+
InChIKeyNGNSAKJHTQWPBK-JFLMPSFJSA-N
MW427.46 g/mol
LogP4.29
Rot. Bonds7

About N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide (PubChem CID 6901331) has the molecular formula C25H21N3O4 and a molecular weight of 427.46 g/mol. Its IUPAC name is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
PubChem CID6901331
Molecular FormulaC25H21N3O4
Molecular Weight427.46 g/mol
Exact Mass427.15
IUPAC NameN-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1O
InChIInChI=1S/C25H21N3O4/c1-31-22-12-9-18(14-21(22)29)15-27-28-25(30)20-10-7-17(8-11-20)16-32-23-6-2-4-19-5-3-13-26-24(19)23/h2-15,29H,16H2,1H3,(H,28,30)/b27-15+
InChIKeyNGNSAKJHTQWPBK-JFLMPSFJSA-N
XLogP4.29
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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]-4-(quinolin-8-yloxymethyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The IUPAC name of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide (CID 6901331) is N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide.
What is the SMILES notation for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The canonical SMILES for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is COc1ccc(/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1O.
What is the InChIKey of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The InChIKey is NGNSAKJHTQWPBK-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H21N3O4/c1-31-22-12-9-18(14-21(22)29)15-27-28-25(30)20-10-7-17(8-11-20)16-32-23-6-2-4-19-5-3-13-26-24(19)23/h2-15,29H,16H2,1H3,(H,28,30)/b27-15+.
What are the key properties of N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide has a molecular weight of 427.46 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is sourced from PubChem (CID 6901331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).