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

C23H17N3O2 — CID 135501377

IUPACN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17N3O2/c27-18-12-10-16(11-13-18)15-24-26-23(28)20-14-22(17-6-2-1-3-7-17)25-21-9-5-4-8-19(20)21/h1-15,27H,(H,26,28)/b24-15+
InChIKeyBAJHGRAPNVSCOS-BUVRLJJBSA-N
MW367.41 g/mol
LogP4.37
Rot. Bonds4

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

N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 135501377) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID135501377
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC NameN-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H17N3O2/c27-18-12-10-16(11-13-18)15-24-26-23(28)20-14-22(17-6-2-1-3-7-17)25-21-9-5-4-8-19(20)21/h1-15,27H,(H,26,28)/b24-15+
InChIKeyBAJHGRAPNVSCOS-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': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-((8-Hydroxy-2-quinolinyl)methylene)-3-phenylpropanohydrazide
CID 135479710
2-(4-Hydroxyphenyl)quinoline-4-carboxylic acid
CID 247361
2-hydroxy-N-[(E)-quinolin-4-ylmethylideneamino]benzamide
CID 6891142
N'-(4-hydroxybenzoyl)quinoline-2-carbohydrazide
CID 9119002
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239
4-(1-adamantyl)-N-[(E)-(3-hydroxyphenyl)methyleneamino]quinoline-2-carboxamide
CID 16727761
2-ethyl-N'-[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]quinoline-4-carbohydrazide
CID 135457689
2-(4-ethoxyphenyl)-N'-(4-hydroxybenzylidene)-4-quinolinecarbohydrazide
CID 135533594
N'-(acridin-9-yl)-4-hydroxybenzohydrazide
CID 3138566
N'-(9-acridinyl)-2-hydroxybenzohydrazide
CID 3138567
N'-(acridin-9-yl)-3-hydroxybenzohydrazide
CID 3279103
N'-[(E)-(2,4-dimethoxyphenyl)methylidene]-2-phenylquinoline-4-carbohydrazide
CID 6880179

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 135501377) is N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is BAJHGRAPNVSCOS-BUVRLJJBSA-N. The full InChI is InChI=1S/C23H17N3O2/c27-18-12-10-16(11-13-18)15-24-26-23(28)20-14-22(17-6-2-1-3-7-17)25-21-9-5-4-8-19(20)21/h1-15,27H,(H,26,28)/b24-15+.
What are the key properties of N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(E)-(4-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)-(4-hydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 135501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).