2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

C21H16N4O2 — CID 135625889

IUPAC2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1-c1ccccc1
InChIInChI=1S/C21H16N4O2/c26-17-12-10-15(11-13-17)14-22-24-21-23-19-9-5-4-8-18(19)20(27)25(21)16-6-2-1-3-7-16/h1-14,26H,(H,23,24)/b22-14+
InChIKeyRECRNDQTOMVESM-HYARGMPZSA-N
MW356.39 g/mol
LogP3.54
Rot. Bonds4

About 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one

2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (PubChem CID 135625889) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
PubChem CID135625889
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1-c1ccccc1
InChIInChI=1S/C21H16N4O2/c26-17-12-10-15(11-13-17)14-22-24-21-23-19-9-5-4-8-18(19)20(27)25(21)16-6-2-1-3-7-16/h1-14,26H,(H,23,24)/b22-14+
InChIKeyRECRNDQTOMVESM-HYARGMPZSA-N
XLogP3.54
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-{[(E)-(2-hydroxyphenyl)methylidene]amino}-2-phenyl-4(3H)-quinazolinone
CID 135539638
N-(2-{[(2E)-2-(4-hydroxybenzylidene)hydrazinyl]carbonyl}phenyl)benzamide
CID 135625843
3-(4-hydroxyphenyl)-2-(4-methylphenyl)-4(3H)-quinazolinone
CID 717894
(E)-2-(2-(3,4-dimethoxybenzylidene)hydrazinyl)-3-phenylquinazolin-4(3H)-one
CID 6298378
(E)-2-(4-hydroxystyryl)-3-(o-tolyl)quinazolin-4(3H)-one
CID 135419110
4-Hydroxybenzaldehyde (4-oxo-3,4-dihydro-2-quinazolinyl)hydrazone
CID 135425002
(E)-3-Hydroxy-2-[2-[(2-hydroxy-1-naphthyl)methylene]hydrazino]quinazolin-4(3H)-one
CID 135510946
4(3H)-Quinazolinone, 3-(4-hydroxyphenyl)-2-phenyl-
CID 708938
3-(4-Hydroxy-phenyl)-2-[2-(4-hydroxy-phenyl)-vinyl]-3H-quinazolin-4-one
CID 135616998
2-[(E)-2-(4-hydroxyphenyl)ethenyl]-3-phenylquinazolin-4(3H)-one
CID 135451290
3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2-methylquinazolin-4(3H)-one
CID 135415379
3-{[(E)-(4-hydroxyphenyl)methylidene]amino}-2-propylquinazolin-4(3H)-one
CID 135449584

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one (CID 135625889) is 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(N/N=C/c2ccc(O)cc2)n1-c1ccccc1.
What is the InChIKey of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
The InChIKey is RECRNDQTOMVESM-HYARGMPZSA-N. The full InChI is InChI=1S/C21H16N4O2/c26-17-12-10-15(11-13-17)14-22-24-21-23-19-9-5-4-8-18(19)20(27)25(21)16-6-2-1-3-7-16/h1-14,26H,(H,23,24)/b22-14+.
What are the key properties of 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one?
2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one has a molecular weight of 356.39 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is sourced from PubChem (CID 135625889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).