2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride

C15H13Cl2N5 — CID 24746808

IUPAC2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H12ClN5.ClH/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)20-15(19-12)21-14(17)18;/h1-8H,(H4,17,18,19,20,21);1H
InChIKeyHBKZBRMOTWAFMG-UHFFFAOYSA-N
MW334.21 g/mol
LogP3.28
Rot. Bonds2

About 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride

2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride (PubChem CID 24746808) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride.

Molecular Properties

Compound Name2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride
PubChem CID24746808
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride
SMILESCl.NC(N)=Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H12ClN5.ClH/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)20-15(19-12)21-14(17)18;/h1-8H,(H4,17,18,19,20,21);1H
InChIKeyHBKZBRMOTWAFMG-UHFFFAOYSA-N
XLogP3.28
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
The IUPAC name of 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride (CID 24746808) is 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride.
What is the SMILES notation for 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
The canonical SMILES for 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride is Cl.NC(N)=Nc1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
The InChIKey is HBKZBRMOTWAFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5.ClH/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)20-15(19-12)21-14(17)18;/h1-8H,(H4,17,18,19,20,21);1H.
What are the key properties of 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride?
2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride has a molecular weight of 334.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-4-phenylquinazolin-2-yl)guanidine;hydrochloride is sourced from PubChem (CID 24746808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).