6-chloro-2-methylsulfanyl-4-phenylquinazoline

C15H11ClN2S — CID 700615

IUPAC6-chloro-2-methylsulfanyl-4-phenylquinazoline
SMILESCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H11ClN2S/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyIEGWBQYKJLMVCS-UHFFFAOYSA-N
MW286.79 g/mol
LogP4.67
Rot. Bonds2

About 6-chloro-2-methylsulfanyl-4-phenylquinazoline

6-chloro-2-methylsulfanyl-4-phenylquinazoline (PubChem CID 700615) has the molecular formula C15H11ClN2S and a molecular weight of 286.79 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-4-phenylquinazoline.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-4-phenylquinazoline
PubChem CID700615
Molecular FormulaC15H11ClN2S
Molecular Weight286.79 g/mol
Exact Mass286.03
IUPAC Name6-chloro-2-methylsulfanyl-4-phenylquinazoline
SMILESCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C15H11ClN2S/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3
InChIKeyIEGWBQYKJLMVCS-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.79
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-4-phenylquinazoline?
The IUPAC name of 6-chloro-2-methylsulfanyl-4-phenylquinazoline (CID 700615) is 6-chloro-2-methylsulfanyl-4-phenylquinazoline.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-4-phenylquinazoline?
The canonical SMILES for 6-chloro-2-methylsulfanyl-4-phenylquinazoline is CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-4-phenylquinazoline?
The InChIKey is IEGWBQYKJLMVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S/c1-19-15-17-13-8-7-11(16)9-12(13)14(18-15)10-5-3-2-4-6-10/h2-9H,1H3.
What are the key properties of 6-chloro-2-methylsulfanyl-4-phenylquinazoline?
6-chloro-2-methylsulfanyl-4-phenylquinazoline has a molecular weight of 286.79 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-4-phenylquinazoline is sourced from PubChem (CID 700615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).