butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)

C13H18N2OY3-2 — CID 159837740

IUPACbutane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)
SMILESCCCC.O=c1[nH][c-]nc2ccccc12.[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C8H5N2O.C4H10.CH3.3Y/c11-8-6-3-1-2-4-7(6)9-5-10-8;1-3-4-2;;;;/h1-4H,(H,9,10,11);3-4H2,1-2H3;1H3;;;/q-1;;-1;;;
InChIKeyTYPOVCCQQWOPBK-UHFFFAOYSA-N
MW485.02 g/mol
LogP2.97
Rot. Bonds1

About butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)

butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium) (PubChem CID 159837740) has the molecular formula C13H18N2OY3-2 and a molecular weight of 485.02 g/mol. Its IUPAC name is butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium).

Molecular Properties

Compound Namebutane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)
PubChem CID159837740
Molecular FormulaC13H18N2OY3-2
Molecular Weight485.02 g/mol
Exact Mass484.86
IUPAC Namebutane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)
SMILESCCCC.O=c1[nH][c-]nc2ccccc12.[CH3-].[Y].[Y].[Y]
InChIInChI=1S/C8H5N2O.C4H10.CH3.3Y/c11-8-6-3-1-2-4-7(6)9-5-10-8;1-3-4-2;;;;/h1-4H,(H,9,10,11);3-4H2,1-2H3;1H3;;;/q-1;;-1;;;
InChIKeyTYPOVCCQQWOPBK-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.02
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium) 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 butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)?
The IUPAC name of butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium) (CID 159837740) is butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium).
What is the SMILES notation for butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)?
The canonical SMILES for butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium) is CCCC.O=c1[nH][c-]nc2ccccc12.[CH3-].[Y].[Y].[Y].
What is the InChIKey of butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)?
The InChIKey is TYPOVCCQQWOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N2O.C4H10.CH3.3Y/c11-8-6-3-1-2-4-7(6)9-5-10-8;1-3-4-2;;;;/h1-4H,(H,9,10,11);3-4H2,1-2H3;1H3;;;/q-1;;-1;;;.
What are the key properties of butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)?
butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium) has a molecular weight of 485.02 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium) is sourced from PubChem (CID 159837740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).