7-bromo-2H-quinazolin-2-ide;propane;yttrium

C11H11BrN2Y-2 — CID 58546985

IUPAC7-bromo-2H-quinazolin-2-ide;propane;yttrium
SMILESBrc1ccc2cn[c-]nc2c1.C[CH-]C.[Y]
InChIInChI=1S/C8H4BrN2.C3H7.Y/c9-7-2-1-6-4-10-5-11-8(6)3-7;1-3-2;/h1-4H;3H,1-2H3;/q2*-1;
InChIKeyQRTRNJYVSHLLQI-UHFFFAOYSA-N
MW340.03 g/mol
LogP3.42
Rot. Bonds

About 7-bromo-2H-quinazolin-2-ide;propane;yttrium

7-bromo-2H-quinazolin-2-ide;propane;yttrium (PubChem CID 58546985) has the molecular formula C11H11BrN2Y-2 and a molecular weight of 340.03 g/mol. Its IUPAC name is 7-bromo-2H-quinazolin-2-ide;propane;yttrium.

Molecular Properties

Compound Name7-bromo-2H-quinazolin-2-ide;propane;yttrium
PubChem CID58546985
Molecular FormulaC11H11BrN2Y-2
Molecular Weight340.03 g/mol
Exact Mass338.92
IUPAC Name7-bromo-2H-quinazolin-2-ide;propane;yttrium
SMILESBrc1ccc2cn[c-]nc2c1.C[CH-]C.[Y]
InChIInChI=1S/C8H4BrN2.C3H7.Y/c9-7-2-1-6-4-10-5-11-8(6)3-7;1-3-2;/h1-4H;3H,1-2H3;/q2*-1;
InChIKeyQRTRNJYVSHLLQI-UHFFFAOYSA-N
XLogP3.42
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.03
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-bromo-2H-quinazolin-2-ide;propane;yttrium with MolForge

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

Launch Full Analysis

Related Compounds

7-methyl-2H-quinoxalin-2-ide;propane;yttrium
CID 58546773
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
7-chloro-2H-quinazolin-2-ide;propane;yttrium
CID 58547045
7-bromo-2H-quinoxalin-2-ide;propane;yttrium
CID 58547559
propane;2H-quinazolin-2-ide-7-carbonitrile;yttrium
CID 58547644
7-fluoro-2H-quinazolin-2-ide;propane;yttrium
CID 58547673
4,6-dimethyl-2H-quinazolin-2-ide;yttrium
CID 60007882
6-bromo-3-methyl-2H-quinazoline
CID 141185520
7-Bromo-2,3-dihydroquinoline
CID 153959558
6-bromo-3,5-dimethyl-2H-quinazoline
CID 172787863
4,5-bis[(Z)-prop-1-enyl]-2H-pyrimidin-2-ide;ethane;yttrium
CID 177015667
2,8-Dibromobenzo[c][1,5]benzodiazocine
CID 102228628

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2H-quinazolin-2-ide;propane;yttrium?
The IUPAC name of 7-bromo-2H-quinazolin-2-ide;propane;yttrium (CID 58546985) is 7-bromo-2H-quinazolin-2-ide;propane;yttrium.
What is the SMILES notation for 7-bromo-2H-quinazolin-2-ide;propane;yttrium?
The canonical SMILES for 7-bromo-2H-quinazolin-2-ide;propane;yttrium is Brc1ccc2cn[c-]nc2c1.C[CH-]C.[Y].
What is the InChIKey of 7-bromo-2H-quinazolin-2-ide;propane;yttrium?
The InChIKey is QRTRNJYVSHLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrN2.C3H7.Y/c9-7-2-1-6-4-10-5-11-8(6)3-7;1-3-2;/h1-4H;3H,1-2H3;/q2*-1;.
What are the key properties of 7-bromo-2H-quinazolin-2-ide;propane;yttrium?
7-bromo-2H-quinazolin-2-ide;propane;yttrium has a molecular weight of 340.03 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2H-quinazolin-2-ide;propane;yttrium is sourced from PubChem (CID 58546985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).