2-phenyl-4-phenylsulfanylquinazoline

C20H14N2S — CID 609712

IUPAC2-phenyl-4-phenylsulfanylquinazoline
SMILESc1ccc(Sc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14N2S/c1-3-9-15(10-4-1)19-21-18-14-8-7-13-17(18)20(22-19)23-16-11-5-2-6-12-16/h1-14H
InChIKeyWBTMDNNEEVHKGB-UHFFFAOYSA-N
MW314.41 g/mol
LogP5.45
Rot. Bonds3

About 2-phenyl-4-phenylsulfanylquinazoline

2-phenyl-4-phenylsulfanylquinazoline (PubChem CID 609712) has the molecular formula C20H14N2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-phenyl-4-phenylsulfanylquinazoline.

Molecular Properties

Compound Name2-phenyl-4-phenylsulfanylquinazoline
PubChem CID609712
Molecular FormulaC20H14N2S
Molecular Weight314.41 g/mol
Exact Mass314.09
IUPAC Name2-phenyl-4-phenylsulfanylquinazoline
SMILESc1ccc(Sc2nc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C20H14N2S/c1-3-9-15(10-4-1)19-21-18-14-8-7-13-17(18)20(22-19)23-16-11-5-2-6-12-16/h1-14H
InChIKeyWBTMDNNEEVHKGB-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
5-(4-Tert-Butylphenylsulfanyl)-2,4-Quinazolinediamine
CID 3537
5-Phenylsulfanyl-2,4-Quinazolinediamine
CID 446244
5-(4-Methylphenyl)sulfanylquinazoline-2,4-diamine
CID 446245
N,2-diphenylquinazolin-4-amine
CID 698960
4-Cyclohexyl-2-phenylquinazoline
CID 23640938
WR 159412
CID 100475
Benzyl-(2-thiophen-2-yl-quinazolin-4-yl)-amine
CID 2573787
(4-Methylthio-phenyl)-(2-methyl-quinazolin-4-yl)-methylamine
CID 11580217
2-(6-Fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
CID 3167738
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
Propan-2-yl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442567

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-phenylsulfanylquinazoline?
The IUPAC name of 2-phenyl-4-phenylsulfanylquinazoline (CID 609712) is 2-phenyl-4-phenylsulfanylquinazoline.
What is the SMILES notation for 2-phenyl-4-phenylsulfanylquinazoline?
The canonical SMILES for 2-phenyl-4-phenylsulfanylquinazoline is c1ccc(Sc2nc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of 2-phenyl-4-phenylsulfanylquinazoline?
The InChIKey is WBTMDNNEEVHKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S/c1-3-9-15(10-4-1)19-21-18-14-8-7-13-17(18)20(22-19)23-16-11-5-2-6-12-16/h1-14H.
What are the key properties of 2-phenyl-4-phenylsulfanylquinazoline?
2-phenyl-4-phenylsulfanylquinazoline has a molecular weight of 314.41 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-phenylsulfanylquinazoline is sourced from PubChem (CID 609712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).