1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine

C15H13ClN4 — CID 59299621

IUPAC1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine
SMILESClc1nc(NNCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H13ClN4/c16-15-18-13-9-5-4-8-12(13)14(19-15)20-17-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,18,19,20)
InChIKeyPQFRELUCRNIMGY-UHFFFAOYSA-N
MW284.75 g/mol
LogP3.40
Rot. Bonds4

About 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine

1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine (PubChem CID 59299621) has the molecular formula C15H13ClN4 and a molecular weight of 284.75 g/mol. Its IUPAC name is 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine.

Molecular Properties

Compound Name1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine
PubChem CID59299621
Molecular FormulaC15H13ClN4
Molecular Weight284.75 g/mol
Exact Mass284.08
IUPAC Name1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine
SMILESClc1nc(NNCc2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H13ClN4/c16-15-18-13-9-5-4-8-12(13)14(19-15)20-17-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,18,19,20)
InChIKeyPQFRELUCRNIMGY-UHFFFAOYSA-N
XLogP3.40
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 53.40
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 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine?
The IUPAC name of 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine (CID 59299621) is 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine.
What is the SMILES notation for 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine?
The canonical SMILES for 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine is Clc1nc(NNCc2ccccc2)c2ccccc2n1.
What is the InChIKey of 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine?
The InChIKey is PQFRELUCRNIMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4/c16-15-18-13-9-5-4-8-12(13)14(19-15)20-17-10-11-6-2-1-3-7-11/h1-9,17H,10H2,(H,18,19,20).
What are the key properties of 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine?
1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine has a molecular weight of 284.75 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-chloroquinazolin-4-yl)hydrazine is sourced from PubChem (CID 59299621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).