2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol

C21H16N4O — CID 4014004

IUPAC2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1C=NNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16N4O/c26-19-13-7-4-10-16(19)14-22-25-21-17-11-5-6-12-18(17)23-20(24-21)15-8-2-1-3-9-15/h1-14,26H,(H,23,24,25)
InChIKeyVWJMPCVODOKXNU-UHFFFAOYSA-N
MW340.39 g/mol
LogP4.45
Rot. Bonds4

About 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol

2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol (PubChem CID 4014004) has the molecular formula C21H16N4O and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
PubChem CID4014004
Molecular FormulaC21H16N4O
Molecular Weight340.39 g/mol
Exact Mass340.13
IUPAC Name2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol
SMILESOc1ccccc1C=NNc1nc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H16N4O/c26-19-13-7-4-10-16(19)14-22-25-21-17-11-5-6-12-18(17)23-20(24-21)15-8-2-1-3-9-15/h1-14,26H,(H,23,24,25)
InChIKeyVWJMPCVODOKXNU-UHFFFAOYSA-N
XLogP4.45
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
CID 135549514
2-[(E)-(quinazolin-4-ylhydrazinylidene)methyl]phenol
CID 135713775
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-6-methoxyphenol
CID 135650334
4-[(E)-[[2-[(2E)-2-[(2,4-dihydroxyphenyl)methylidene]hydrazinyl]quinazolin-4-yl]hydrazinylidene]methyl]benzene-1,3-diol
CID 137185504
4-[(E)-[[2-(4-bromophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135411545
2-[4-[(2E)-2-[(2,3,4,5,6-pentafluorophenyl)methylidene]hydrazinyl]quinazolin-2-yl]phenol
CID 135536519
(2R,3S,4R,5S,6E)-6-[(2-phenylquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4,5-pentol
CID 10572933
4-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 135549541
2-(2-chlorophenyl)-N-[(2-fluorophenyl)methylideneamino]quinazolin-4-amine
CID 3764445
N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinazolin-4-amine
CID 5339750
3-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136851168
2-[(Z)-[[2-(4-bromophenyl)-6-phenylpyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 135907237

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol (CID 4014004) is 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol is Oc1ccccc1C=NNc1nc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
The InChIKey is VWJMPCVODOKXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O/c26-19-13-7-4-10-16(19)14-22-25-21-17-11-5-6-12-18(17)23-20(24-21)15-8-2-1-3-9-15/h1-14,26H,(H,23,24,25).
What are the key properties of 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol?
2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol has a molecular weight of 340.39 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-phenylquinazolin-4-yl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4014004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).