6-chloro-2-methyl-3-phenylquinazoline-4-thione

C15H11ClN2S — CID 15954272

IUPAC6-chloro-2-methyl-3-phenylquinazoline-4-thione
SMILESCc1nc2ccc(Cl)cc2c(=S)n1-c1ccccc1
InChIInChI=1S/C15H11ClN2S/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyIWGDCADAJODZDX-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.72
Rot. Bonds1

About 6-chloro-2-methyl-3-phenylquinazoline-4-thione

6-chloro-2-methyl-3-phenylquinazoline-4-thione (PubChem CID 15954272) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 6-chloro-2-methyl-3-phenylquinazoline-4-thione.

Molecular Properties

Compound Name6-chloro-2-methyl-3-phenylquinazoline-4-thione
PubChem CID15954272
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name6-chloro-2-methyl-3-phenylquinazoline-4-thione
SMILESCc1nc2ccc(Cl)cc2c(=S)n1-c1ccccc1
InChIInChI=1S/C15H11ClN2S/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyIWGDCADAJODZDX-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-3-phenylquinazoline-4-thione?
The IUPAC name of 6-chloro-2-methyl-3-phenylquinazoline-4-thione (CID 15954272) is 6-chloro-2-methyl-3-phenylquinazoline-4-thione.
What is the SMILES notation for 6-chloro-2-methyl-3-phenylquinazoline-4-thione?
The canonical SMILES for 6-chloro-2-methyl-3-phenylquinazoline-4-thione is Cc1nc2ccc(Cl)cc2c(=S)n1-c1ccccc1.
What is the InChIKey of 6-chloro-2-methyl-3-phenylquinazoline-4-thione?
The InChIKey is IWGDCADAJODZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c1-10-17-14-8-7-11(16)9-13(14)15(19)18(10)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 6-chloro-2-methyl-3-phenylquinazoline-4-thione?
6-chloro-2-methyl-3-phenylquinazoline-4-thione has a molecular weight of 286.79 g/mol, XLogP of 4.72, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-3-phenylquinazoline-4-thione is sourced from PubChem (CID 15954272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).