7-chloro-1-phenylquinazoline-4-thione

C14H9ClN2S — CID 175762392

IUPAC7-chloro-1-phenylquinazoline-4-thione
SMILESS=c1ncn(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C14H9ClN2S/c15-10-6-7-12-13(8-10)17(9-16-14(12)18)11-4-2-1-3-5-11/h1-9H
InChIKeyUFLVTTYYKIKYGB-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.41
Rot. Bonds1

About 7-chloro-1-phenylquinazoline-4-thione

7-chloro-1-phenylquinazoline-4-thione (PubChem CID 175762392) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 7-chloro-1-phenylquinazoline-4-thione.

Molecular Properties

Compound Name7-chloro-1-phenylquinazoline-4-thione
PubChem CID175762392
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name7-chloro-1-phenylquinazoline-4-thione
SMILESS=c1ncn(-c2ccccc2)c2cc(Cl)ccc12
InChIInChI=1S/C14H9ClN2S/c15-10-6-7-12-13(8-10)17(9-16-14(12)18)11-4-2-1-3-5-11/h1-9H
InChIKeyUFLVTTYYKIKYGB-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-chloro-1-phenylquinazoline-4-thione 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 7-chloro-1-phenylquinazoline-4-thione?
The IUPAC name of 7-chloro-1-phenylquinazoline-4-thione (CID 175762392) is 7-chloro-1-phenylquinazoline-4-thione.
What is the SMILES notation for 7-chloro-1-phenylquinazoline-4-thione?
The canonical SMILES for 7-chloro-1-phenylquinazoline-4-thione is S=c1ncn(-c2ccccc2)c2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-1-phenylquinazoline-4-thione?
The InChIKey is UFLVTTYYKIKYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-10-6-7-12-13(8-10)17(9-16-14(12)18)11-4-2-1-3-5-11/h1-9H.
What are the key properties of 7-chloro-1-phenylquinazoline-4-thione?
7-chloro-1-phenylquinazoline-4-thione has a molecular weight of 272.76 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-phenylquinazoline-4-thione is sourced from PubChem (CID 175762392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).