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

C15H13N5 — CID 2904746

IUPAC2-(4-phenylquinazolin-2-yl)guanidine
SMILESNC(N)=Nc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H13N5/c16-14(17)20-15-18-12-9-5-4-8-11(12)13(19-15)10-6-2-1-3-7-10/h1-9H,(H4,16,17,18,19,20)
InChIKeyWNJKNADHWJKYGZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.20
Rot. Bonds2

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

2-(4-phenylquinazolin-2-yl)guanidine (PubChem CID 2904746) has the molecular formula C15H13N5 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(4-phenylquinazolin-2-yl)guanidine.

Molecular Properties

Compound Name2-(4-phenylquinazolin-2-yl)guanidine
PubChem CID2904746
Molecular FormulaC15H13N5
Molecular Weight263.30 g/mol
Exact Mass263.12
IUPAC Name2-(4-phenylquinazolin-2-yl)guanidine
SMILESNC(N)=Nc1nc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C15H13N5/c16-14(17)20-15-18-12-9-5-4-8-11(12)13(19-15)10-6-2-1-3-7-10/h1-9H,(H4,16,17,18,19,20)
InChIKeyWNJKNADHWJKYGZ-UHFFFAOYSA-N
XLogP2.20
TPSA90.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.20
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-(4-phenylquinazolin-2-yl)guanidine?
The IUPAC name of 2-(4-phenylquinazolin-2-yl)guanidine (CID 2904746) is 2-(4-phenylquinazolin-2-yl)guanidine.
What is the SMILES notation for 2-(4-phenylquinazolin-2-yl)guanidine?
The canonical SMILES for 2-(4-phenylquinazolin-2-yl)guanidine is NC(N)=Nc1nc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(4-phenylquinazolin-2-yl)guanidine?
The InChIKey is WNJKNADHWJKYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5/c16-14(17)20-15-18-12-9-5-4-8-11(12)13(19-15)10-6-2-1-3-7-10/h1-9H,(H4,16,17,18,19,20).
What are the key properties of 2-(4-phenylquinazolin-2-yl)guanidine?
2-(4-phenylquinazolin-2-yl)guanidine has a molecular weight of 263.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylquinazolin-2-yl)guanidine is sourced from PubChem (CID 2904746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).