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

C24H19N3O3 — CID 135555054

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O
InChIInChI=1S/C24H19N3O3/c1-30-23-13-16(11-12-22(23)28)15-25-27-24(29)19-14-21(17-7-3-2-4-8-17)26-20-10-6-5-9-18(19)20/h2-15,28H,1H3,(H,27,29)/b25-15+
InChIKeyQHOFVKUEEJMXOJ-MFKUBSTISA-N
MW397.43 g/mol
LogP4.38
Rot. Bonds5

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

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 135555054) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID135555054
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O
InChIInChI=1S/C24H19N3O3/c1-30-23-13-16(11-12-22(23)28)15-25-27-24(29)19-14-21(17-7-3-2-4-8-17)26-20-10-6-5-9-18(19)20/h2-15,28H,1H3,(H,27,29)/b25-15+
InChIKeyQHOFVKUEEJMXOJ-MFKUBSTISA-N
XLogP4.38
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-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

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 135555054) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is QHOFVKUEEJMXOJ-MFKUBSTISA-N. The full InChI is InChI=1S/C24H19N3O3/c1-30-23-13-16(11-12-22(23)28)15-25-27-24(29)19-14-21(17-7-3-2-4-8-17)26-20-10-6-5-9-18(19)20/h2-15,28H,1H3,(H,27,29)/b25-15+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 135555054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).