4-(2-phenoxyethylsulfanyl)quinazoline

C16H14N2OS — CID 78761284

IUPAC4-(2-phenoxyethylsulfanyl)quinazoline
SMILESc1ccc(OCCSc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-2-6-13(7-3-1)19-10-11-20-16-14-8-4-5-9-15(14)17-12-18-16/h1-9,12H,10-11H2
InChIKeyJCBZSBMVXBNWNI-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.80
Rot. Bonds5

About 4-(2-phenoxyethylsulfanyl)quinazoline

4-(2-phenoxyethylsulfanyl)quinazoline (PubChem CID 78761284) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(2-phenoxyethylsulfanyl)quinazoline.

Molecular Properties

Compound Name4-(2-phenoxyethylsulfanyl)quinazoline
PubChem CID78761284
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC Name4-(2-phenoxyethylsulfanyl)quinazoline
SMILESc1ccc(OCCSc2ncnc3ccccc23)cc1
InChIInChI=1S/C16H14N2OS/c1-2-6-13(7-3-1)19-10-11-20-16-14-8-4-5-9-15(14)17-12-18-16/h1-9,12H,10-11H2
InChIKeyJCBZSBMVXBNWNI-UHFFFAOYSA-N
XLogP3.80
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(Cyclohexyloxy)quinazoline
CID 44591868
4-Ethoxyquinazoline
CID 589708
1-(Furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2386629
Quinazoline, 6-methoxy-4-methylthio-2-phenyl-
CID 624749
(4-Methoxy-phenyl)-methyl-quinazolin-4-yl-amine
CID 11254113
4-[2-(4-Butylphenyl)ethoxy]quinazoline
CID 44441988
4-{[2-(4-Methoxyphenoxy)ethyl]sulfanyl}-2-methylquinazoline
CID 608986
5-(4-Methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 462597
5-(3-Methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 462600
5-(2-Methoxyphenyl)sulfanylquinazoline-2,4-diamine
CID 462601
6-Methoxy-4-methyl-2-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 896205
2-(Benzylthio)-6-methoxy-4-methylquinazoline
CID 897291

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethylsulfanyl)quinazoline?
The IUPAC name of 4-(2-phenoxyethylsulfanyl)quinazoline (CID 78761284) is 4-(2-phenoxyethylsulfanyl)quinazoline.
What is the SMILES notation for 4-(2-phenoxyethylsulfanyl)quinazoline?
The canonical SMILES for 4-(2-phenoxyethylsulfanyl)quinazoline is c1ccc(OCCSc2ncnc3ccccc23)cc1.
What is the InChIKey of 4-(2-phenoxyethylsulfanyl)quinazoline?
The InChIKey is JCBZSBMVXBNWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-2-6-13(7-3-1)19-10-11-20-16-14-8-4-5-9-15(14)17-12-18-16/h1-9,12H,10-11H2.
What are the key properties of 4-(2-phenoxyethylsulfanyl)quinazoline?
4-(2-phenoxyethylsulfanyl)quinazoline has a molecular weight of 282.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethylsulfanyl)quinazoline is sourced from PubChem (CID 78761284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).