[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine

C14H10BrClN4 — CID 701905

IUPAC[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine
SMILESNNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C14H10BrClN4/c15-8-5-6-12-10(7-8)13(19-14(18-12)20-17)9-3-1-2-4-11(9)16/h1-7H,17H2,(H,18,19,20)
InChIKeyJVJKQFMIRXQVLM-UHFFFAOYSA-N
MW349.62 g/mol
LogP4.00
Rot. Bonds2

About [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine

[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine (PubChem CID 701905) has the molecular formula C14H10BrClN4 and a molecular weight of 349.62 g/mol. Its IUPAC name is [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine.

Molecular Properties

Compound Name[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine
PubChem CID701905
Molecular FormulaC14H10BrClN4
Molecular Weight349.62 g/mol
Exact Mass347.98
IUPAC Name[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine
SMILESNNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1
InChIInChI=1S/C14H10BrClN4/c15-8-5-6-12-10(7-8)13(19-14(18-12)20-17)9-3-1-2-4-11(9)16/h1-7H,17H2,(H,18,19,20)
InChIKeyJVJKQFMIRXQVLM-UHFFFAOYSA-N
XLogP4.00
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.62
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine?
The IUPAC name of [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine (CID 701905) is [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine.
What is the SMILES notation for [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine?
The canonical SMILES for [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine is NNc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1.
What is the InChIKey of [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine?
The InChIKey is JVJKQFMIRXQVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN4/c15-8-5-6-12-10(7-8)13(19-14(18-12)20-17)9-3-1-2-4-11(9)16/h1-7H,17H2,(H,18,19,20).
What are the key properties of [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine?
[6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine has a molecular weight of 349.62 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-4-(2-chlorophenyl)quinazolin-2-yl]hydrazine is sourced from PubChem (CID 701905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).