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

C23H17N3O2 — CID 6882669

IUPACN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17N3O2/c27-18-10-6-7-16(13-18)15-24-26-23(28)20-14-22(17-8-2-1-3-9-17)25-21-12-5-4-11-19(20)21/h1-15,27H,(H,26,28)/b24-15+
InChIKeyZXAAJEPETUWGLI-BUVRLJJBSA-N
MW367.41 g/mol
LogP4.37
Rot. Bonds4

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

N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 6882669) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID6882669
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17N3O2/c27-18-10-6-7-16(13-18)15-24-26-23(28)20-14-22(17-8-2-1-3-9-17)25-21-12-5-4-11-19(20)21/h1-15,27H,(H,26,28)/b24-15+
InChIKeyZXAAJEPETUWGLI-BUVRLJJBSA-N
XLogP4.37
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 6882669) is N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is ZXAAJEPETUWGLI-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-18-10-6-7-16(13-18)15-24-26-23(28)20-14-22(17-8-2-1-3-9-17)25-21-12-5-4-11-19(20)21/h1-15,27H,(H,26,28)/b24-15+.
What are the key properties of N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 6882669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).