4-(2-methanidylanilino)quinazolin-6-ol;yttrium

C15H12N3OY- — CID 59465164

IUPAC4-(2-methanidylanilino)quinazolin-6-ol;yttrium
SMILES[CH2-]c1ccccc1Nc1ncnc2ccc(O)cc12.[Y]
InChIInChI=1S/C15H12N3O.Y/c1-10-4-2-3-5-13(10)18-15-12-8-11(19)6-7-14(12)16-9-17-15;/h2-9,19H,1H2,(H,16,17,18);/q-1;
InChIKeyYGIGFABKEXGCJY-UHFFFAOYSA-N
MW339.19 g/mol
LogP3.26
Rot. Bonds2

About 4-(2-methanidylanilino)quinazolin-6-ol;yttrium

4-(2-methanidylanilino)quinazolin-6-ol;yttrium (PubChem CID 59465164) has the molecular formula C15H12N3OY- and a molecular weight of 339.19 g/mol. Its IUPAC name is 4-(2-methanidylanilino)quinazolin-6-ol;yttrium.

Molecular Properties

Compound Name4-(2-methanidylanilino)quinazolin-6-ol;yttrium
PubChem CID59465164
Molecular FormulaC15H12N3OY-
Molecular Weight339.19 g/mol
Exact Mass339.00
IUPAC Name4-(2-methanidylanilino)quinazolin-6-ol;yttrium
SMILES[CH2-]c1ccccc1Nc1ncnc2ccc(O)cc12.[Y]
InChIInChI=1S/C15H12N3O.Y/c1-10-4-2-3-5-13(10)18-15-12-8-11(19)6-7-14(12)16-9-17-15;/h2-9,19H,1H2,(H,16,17,18);/q-1;
InChIKeyYGIGFABKEXGCJY-UHFFFAOYSA-N
XLogP3.26
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methanidylanilino)quinazolin-6-ol;yttrium?
The IUPAC name of 4-(2-methanidylanilino)quinazolin-6-ol;yttrium (CID 59465164) is 4-(2-methanidylanilino)quinazolin-6-ol;yttrium.
What is the SMILES notation for 4-(2-methanidylanilino)quinazolin-6-ol;yttrium?
The canonical SMILES for 4-(2-methanidylanilino)quinazolin-6-ol;yttrium is [CH2-]c1ccccc1Nc1ncnc2ccc(O)cc12.[Y].
What is the InChIKey of 4-(2-methanidylanilino)quinazolin-6-ol;yttrium?
The InChIKey is YGIGFABKEXGCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3O.Y/c1-10-4-2-3-5-13(10)18-15-12-8-11(19)6-7-14(12)16-9-17-15;/h2-9,19H,1H2,(H,16,17,18);/q-1;.
What are the key properties of 4-(2-methanidylanilino)quinazolin-6-ol;yttrium?
4-(2-methanidylanilino)quinazolin-6-ol;yttrium has a molecular weight of 339.19 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methanidylanilino)quinazolin-6-ol;yttrium is sourced from PubChem (CID 59465164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).