2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol

C25H17BrN4O — CID 135521814

IUPAC2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
SMILESOc1c(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)ccc2ccccc12
InChIInChI=1S/C25H17BrN4O/c26-19-12-13-22-21(14-19)23(17-7-2-1-3-8-17)29-25(28-22)30-27-15-18-11-10-16-6-4-5-9-20(16)24(18)31/h1-15,31H,(H,28,29,30)/b27-15+
InChIKeyBBNZUVWQMUGLKD-JFLMPSFJSA-N
MW469.34 g/mol
LogP6.36
Rot. Bonds4

About 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol

2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol (PubChem CID 135521814) has the molecular formula C25H17BrN4O and a molecular weight of 469.34 g/mol. Its IUPAC name is 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
PubChem CID135521814
Molecular FormulaC25H17BrN4O
Molecular Weight469.34 g/mol
Exact Mass468.06
IUPAC Name2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol
SMILESOc1c(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)ccc2ccccc12
InChIInChI=1S/C25H17BrN4O/c26-19-12-13-22-21(14-19)23(17-7-2-1-3-8-17)29-25(28-22)30-27-15-18-11-10-16-6-4-5-9-20(16)24(18)31/h1-15,31H,(H,28,29,30)/b27-15+
InChIKeyBBNZUVWQMUGLKD-JFLMPSFJSA-N
XLogP6.36
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 56.36
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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol?
The IUPAC name of 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol (CID 135521814) is 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol is Oc1c(/C=N/Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)ccc2ccccc12.
What is the InChIKey of 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol?
The InChIKey is BBNZUVWQMUGLKD-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H17BrN4O/c26-19-12-13-22-21(14-19)23(17-7-2-1-3-8-17)29-25(28-22)30-27-15-18-11-10-16-6-4-5-9-20(16)24(18)31/h1-15,31H,(H,28,29,30)/b27-15+.
What are the key properties of 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol?
2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol has a molecular weight of 469.34 g/mol, XLogP of 6.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(6-bromo-4-phenylquinazolin-2-yl)hydrazinylidene]methyl]naphthalen-1-ol is sourced from PubChem (CID 135521814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).