6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine

C₁₅H₁₄FN₅ — CID 156536311

About 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine

6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine (PubChem CID 156536311) has the molecular formula C₁₅H₁₄FN₅ and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine.

Molecular Properties

• Compound Name: 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine
• PubChem CID: 156536311
• Molecular Formula: C₁₅H₁₄FN₅
• Molecular Weight: 283.31 g/mol
• Exact Mass: 283.12
• IUPAC Name: 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine
• SMILES: CN(c1ccccc1)c1nc(NN)nc2ccc(F)cc12
• InChI: InChI=1S/C15H14FN5/c1-21(11-5-3-2-4-6-11)14-12-9-10(16)7-8-13(12)18-15(19-14)20-17/h2-9H,17H2,1H3,(H,18,19,20)
• InChIKey: JTMDHZDDPJWKPB-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 67.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	283.31
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine?

The IUPAC name of 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine (CID 156536311) is 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine.

What is the SMILES notation for 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine?

The canonical SMILES for 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine is CN(c1ccccc1)c1nc(NN)nc2ccc(F)cc12.

What is the InChIKey of 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine?

The InChIKey is JTMDHZDDPJWKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5/c1-21(11-5-3-2-4-6-11)14-12-9-10(16)7-8-13(12)18-15(19-14)20-17/h2-9H,17H2,1H3,(H,18,19,20).

What are the key properties of 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine?

6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine has a molecular weight of 283.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-2-hydrazinyl-N-methyl-N-phenylquinazolin-4-amine is sourced from PubChem (CID 156536311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156536311 — identifiers, structure, computed properties (public domain)

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