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

C11H11ClN2Y-2 — CID 58547045

IUPAC7-chloro-2H-quinazolin-2-ide;propane;yttrium
SMILESC[CH-]C.Clc1ccc2cn[c-]nc2c1.[Y]
InChIInChI=1S/C8H4ClN2.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;
InChIKeyLNEZFGICVCJRKJ-UHFFFAOYSA-N
MW295.58 g/mol
LogP3.31
Rot. Bonds

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

7-chloro-2H-quinazolin-2-ide;propane;yttrium (PubChem CID 58547045) has the molecular formula C11H11ClN2Y-2 and a molecular weight of 295.58 g/mol. Its IUPAC name is 7-chloro-2H-quinazolin-2-ide;propane;yttrium.

Molecular Properties

Compound Name7-chloro-2H-quinazolin-2-ide;propane;yttrium
PubChem CID58547045
Molecular FormulaC11H11ClN2Y-2
Molecular Weight295.58 g/mol
Exact Mass294.97
IUPAC Name7-chloro-2H-quinazolin-2-ide;propane;yttrium
SMILESC[CH-]C.Clc1ccc2cn[c-]nc2c1.[Y]
InChIInChI=1S/C8H4ClN2.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;
InChIKeyLNEZFGICVCJRKJ-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.58
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-chloro-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

ethane;7-methyl-4H-quinolin-4-ide;yttrium
CID 57629436
7-methyl-2H-quinoxalin-2-ide;propane;yttrium
CID 58546773
7-bromo-2H-quinazolin-2-ide;propane;yttrium
CID 58546985
7-methyl-2H-quinazolin-2-ide;propane;yttrium
CID 58547041
7-chloro-2H-quinoxalin-2-ide;propane;yttrium
CID 58547603
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
7-Chloro-2-methyl-2,3-dihydro-1,8-naphthyridine
CID 89240848
N-(4-chloro-6-methylidenecyclohexa-2,4-dien-1-ylidene)-N'-methylpropanimidamide
CID 90718255
7-Chloro-4-methyl-2,3-dihydroquinoline
CID 142342570
4-Chloro-6-methyl-2,3-dihydroquinoline
CID 144497190

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2H-quinazolin-2-ide;propane;yttrium?
The IUPAC name of 7-chloro-2H-quinazolin-2-ide;propane;yttrium (CID 58547045) is 7-chloro-2H-quinazolin-2-ide;propane;yttrium.
What is the SMILES notation for 7-chloro-2H-quinazolin-2-ide;propane;yttrium?
The canonical SMILES for 7-chloro-2H-quinazolin-2-ide;propane;yttrium is C[CH-]C.Clc1ccc2cn[c-]nc2c1.[Y].
What is the InChIKey of 7-chloro-2H-quinazolin-2-ide;propane;yttrium?
The InChIKey is LNEZFGICVCJRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClN2.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-chloro-2H-quinazolin-2-ide;propane;yttrium?
7-chloro-2H-quinazolin-2-ide;propane;yttrium has a molecular weight of 295.58 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2H-quinazolin-2-ide;propane;yttrium is sourced from PubChem (CID 58547045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).