6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione

C15H10Cl2N2S — CID 15954333

IUPAC6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione
SMILESCc1nc2ccc(Cl)cc2c(=S)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H10Cl2N2S/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKeyVLGDBAWIODBXDX-UHFFFAOYSA-N
MW321.23 g/mol
LogP5.37
Rot. Bonds1

About 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione

6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione (PubChem CID 15954333) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione.

Molecular Properties

Compound Name6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione
PubChem CID15954333
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione
SMILESCc1nc2ccc(Cl)cc2c(=S)n1-c1cccc(Cl)c1
InChIInChI=1S/C15H10Cl2N2S/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3
InChIKeyVLGDBAWIODBXDX-UHFFFAOYSA-N
XLogP5.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.23
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Chlorobenzyl)-4-quinazolinethiol
CID 2766814
3-(6-chloro-2-methyl-4-phenyl-4H-quinazolin-3-yl)-N,N-dimethylpropan-1-amine
CID 54757898
6-chloro-3-ethyl-2-methyl-4-phenyl-4H-quinazoline
CID 54757804
4(3H)-Quinazolinethione, 3-(2-chlorophenyl)-6-fluoro-2-methyl-
CID 206322
2,3-bis(3-chlorophenyl)-N-methyl-1,2,4-thiadiazol-5-imine
CID 11393530
6-chloro-2-[(E)-2-phenylethenyl]-1H-quinazoline-4-thione
CID 14668183
6-chloro-2-(4-methylphenyl)-1H-quinazoline-4-thione
CID 46934248
3-Amino-6-chloro-2-(4-methylphenyl)quinazoline-4-thione
CID 46934387
2-(3-chlorophenyl)-1H-quinazoline-4-thione
CID 51107857
6-Chloro-3-(4-chlorophenyl)-3,4-dihydroquinazoline
CID 328695
6-chloro-2-methyl-1H-quinazoline-4-thione
CID 4770952
6-Chlor-2-methyl-4-phenyl-3,4-dihydrochinazolin
CID 12223498

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione?
The IUPAC name of 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione (CID 15954333) is 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione.
What is the SMILES notation for 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione?
The canonical SMILES for 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione is Cc1nc2ccc(Cl)cc2c(=S)n1-c1cccc(Cl)c1.
What is the InChIKey of 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione?
The InChIKey is VLGDBAWIODBXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c1-9-18-14-6-5-11(17)8-13(14)15(20)19(9)12-4-2-3-10(16)7-12/h2-8H,1H3.
What are the key properties of 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione?
6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione has a molecular weight of 321.23 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-chlorophenyl)-2-methylquinazoline-4-thione is sourced from PubChem (CID 15954333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).