6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one

C14H9Cl2FN4O — CID 175639893

IUPAC6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H9Cl2FN4O/c15-7-5-10-12(11(16)6-7)19-14(20-18)21(13(10)22)9-3-1-8(17)2-4-9/h1-6H,18H2,(H,19,20)
InChIKeyYOGOFYQIBMOZQY-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.12
Rot. Bonds2

About 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one

6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one (PubChem CID 175639893) has the molecular formula C14H9Cl2FN4O and a molecular weight of 339.16 g/mol. Its IUPAC name is 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one
PubChem CID175639893
Molecular FormulaC14H9Cl2FN4O
Molecular Weight339.16 g/mol
Exact Mass338.01
IUPAC Name6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one
SMILESNNc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C14H9Cl2FN4O/c15-7-5-10-12(11(16)6-7)19-14(20-18)21(13(10)22)9-3-1-8(17)2-4-9/h1-6H,18H2,(H,19,20)
InChIKeyYOGOFYQIBMOZQY-UHFFFAOYSA-N
XLogP3.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one (CID 175639893) is 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one is NNc1nc2c(Cl)cc(Cl)cc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one?
The InChIKey is YOGOFYQIBMOZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FN4O/c15-7-5-10-12(11(16)6-7)19-14(20-18)21(13(10)22)9-3-1-8(17)2-4-9/h1-6H,18H2,(H,19,20).
What are the key properties of 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one?
6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one has a molecular weight of 339.16 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-(4-fluorophenyl)-2-hydrazinylquinazolin-4-one is sourced from PubChem (CID 175639893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).