4-methyl-N'-quinazolin-4-ylbenzohydrazide

C16H14N4O — CID 2543157

IUPAC4-methyl-N'-quinazolin-4-ylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)16(21)20-19-15-13-4-2-3-5-14(13)17-10-18-15/h2-10H,1H3,(H,20,21)(H,17,18,19)
InChIKeyRSDGCYDAXDDFIL-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.70
Rot. Bonds3

About 4-methyl-N'-quinazolin-4-ylbenzohydrazide

4-methyl-N'-quinazolin-4-ylbenzohydrazide (PubChem CID 2543157) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 4-methyl-N'-quinazolin-4-ylbenzohydrazide.

Molecular Properties

Compound Name4-methyl-N'-quinazolin-4-ylbenzohydrazide
PubChem CID2543157
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name4-methyl-N'-quinazolin-4-ylbenzohydrazide
SMILESCc1ccc(C(=O)NNc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)16(21)20-19-15-13-4-2-3-5-14(13)17-10-18-15/h2-10H,1H3,(H,20,21)(H,17,18,19)
InChIKeyRSDGCYDAXDDFIL-UHFFFAOYSA-N
XLogP2.70
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N'-quinazolin-4-ylbenzohydrazide?
The IUPAC name of 4-methyl-N'-quinazolin-4-ylbenzohydrazide (CID 2543157) is 4-methyl-N'-quinazolin-4-ylbenzohydrazide.
What is the SMILES notation for 4-methyl-N'-quinazolin-4-ylbenzohydrazide?
The canonical SMILES for 4-methyl-N'-quinazolin-4-ylbenzohydrazide is Cc1ccc(C(=O)NNc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N'-quinazolin-4-ylbenzohydrazide?
The InChIKey is RSDGCYDAXDDFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-11-6-8-12(9-7-11)16(21)20-19-15-13-4-2-3-5-14(13)17-10-18-15/h2-10H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-methyl-N'-quinazolin-4-ylbenzohydrazide?
4-methyl-N'-quinazolin-4-ylbenzohydrazide has a molecular weight of 278.32 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N'-quinazolin-4-ylbenzohydrazide is sourced from PubChem (CID 2543157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).