2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine

C15H12FN5 — CID 2960739

IUPAC2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine
SMILESNC(N)=Nc1nc(-c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C15H12FN5/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)
InChIKeyLNOMSJXJZXOIPW-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.34
Rot. Bonds2

About 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine

2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine (PubChem CID 2960739) has the molecular formula C15H12FN5 and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine
PubChem CID2960739
Molecular FormulaC15H12FN5
Molecular Weight281.29 g/mol
Exact Mass281.11
IUPAC Name2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine
SMILESNC(N)=Nc1nc(-c2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C15H12FN5/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)
InChIKeyLNOMSJXJZXOIPW-UHFFFAOYSA-N
XLogP2.34
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.34
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'}

Analyze 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine (CID 2960739) is 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine is NC(N)=Nc1nc(-c2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine?
The InChIKey is LNOMSJXJZXOIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN5/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).
What are the key properties of 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine?
2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine has a molecular weight of 281.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-4-phenylquinazolin-2-yl)guanidine is sourced from PubChem (CID 2960739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).