3-chloro-N'-quinazolin-4-ylbenzohydrazide

C15H11ClN4O — CID 2543155

IUPAC3-chloro-N'-quinazolin-4-ylbenzohydrazide
SMILESO=C(NNc1ncnc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-11-5-3-4-10(8-11)15(21)20-19-14-12-6-1-2-7-13(12)17-9-18-14/h1-9H,(H,20,21)(H,17,18,19)
InChIKeyHLUGXSOUOOYBRE-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.04
Rot. Bonds3

About 3-chloro-N'-quinazolin-4-ylbenzohydrazide

3-chloro-N'-quinazolin-4-ylbenzohydrazide (PubChem CID 2543155) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is 3-chloro-N'-quinazolin-4-ylbenzohydrazide.

Molecular Properties

Compound Name3-chloro-N'-quinazolin-4-ylbenzohydrazide
PubChem CID2543155
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC Name3-chloro-N'-quinazolin-4-ylbenzohydrazide
SMILESO=C(NNc1ncnc2ccccc12)c1cccc(Cl)c1
InChIInChI=1S/C15H11ClN4O/c16-11-5-3-4-10(8-11)15(21)20-19-14-12-6-1-2-7-13(12)17-9-18-14/h1-9H,(H,20,21)(H,17,18,19)
InChIKeyHLUGXSOUOOYBRE-UHFFFAOYSA-N
XLogP3.04
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N'-quinazolin-4-ylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-quinazolin-4-ylbenzohydrazide?
The IUPAC name of 3-chloro-N'-quinazolin-4-ylbenzohydrazide (CID 2543155) is 3-chloro-N'-quinazolin-4-ylbenzohydrazide.
What is the SMILES notation for 3-chloro-N'-quinazolin-4-ylbenzohydrazide?
The canonical SMILES for 3-chloro-N'-quinazolin-4-ylbenzohydrazide is O=C(NNc1ncnc2ccccc12)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N'-quinazolin-4-ylbenzohydrazide?
The InChIKey is HLUGXSOUOOYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-5-3-4-10(8-11)15(21)20-19-14-12-6-1-2-7-13(12)17-9-18-14/h1-9H,(H,20,21)(H,17,18,19).
What are the key properties of 3-chloro-N'-quinazolin-4-ylbenzohydrazide?
3-chloro-N'-quinazolin-4-ylbenzohydrazide has a molecular weight of 298.73 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-quinazolin-4-ylbenzohydrazide is sourced from PubChem (CID 2543155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).