2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol

C21H15ClN4O — CID 135549514

IUPAC2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H15ClN4O/c22-16-11-9-14(10-12-16)20-24-18-7-3-2-6-17(18)21(25-20)26-23-13-15-5-1-4-8-19(15)27/h1-13,27H,(H,24,25,26)/b23-13+
InChIKeyRNRHRLGDPRGNCX-YDZHTSKRSA-N
MW374.83 g/mol
LogP5.10
Rot. Bonds4

About 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol

2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol (PubChem CID 135549514) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
PubChem CID135549514
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol
SMILESOc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H15ClN4O/c22-16-11-9-14(10-12-16)20-24-18-7-3-2-6-17(18)21(25-20)26-23-13-15-5-1-4-8-19(15)27/h1-13,27H,(H,24,25,26)/b23-13+
InChIKeyRNRHRLGDPRGNCX-YDZHTSKRSA-N
XLogP5.10
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.83
LogP ≤ 55.10
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)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol?
The IUPAC name of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol (CID 135549514) is 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol is Oc1ccccc1/C=N/Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol?
The InChIKey is RNRHRLGDPRGNCX-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-16-11-9-14(10-12-16)20-24-18-7-3-2-6-17(18)21(25-20)26-23-13-15-5-1-4-8-19(15)27/h1-13,27H,(H,24,25,26)/b23-13+.
What are the key properties of 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol?
2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol has a molecular weight of 374.83 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[2-(4-chlorophenyl)quinazolin-4-yl]hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135549514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).