1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone

C15H12N2O2S — CID 5295556

IUPAC1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESCc1ccc(C(=O)CSc2ncnc3ccccc23)o1
InChIInChI=1S/C15H12N2O2S/c1-10-6-7-14(19-10)13(18)8-20-15-11-4-2-3-5-12(11)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyXFLCRBRJZVQBTH-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.51
Rot. Bonds4

About 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone

1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone (PubChem CID 5295556) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone
PubChem CID5295556
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESCc1ccc(C(=O)CSc2ncnc3ccccc23)o1
InChIInChI=1S/C15H12N2O2S/c1-10-6-7-14(19-10)13(18)8-20-15-11-4-2-3-5-12(11)16-9-17-15/h2-7,9H,8H2,1H3
InChIKeyXFLCRBRJZVQBTH-UHFFFAOYSA-N
XLogP3.51
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
1-(Furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2386629
Methyl 5-((quinazolin-4-ylthio)methyl)furan-2-carboxylate
CID 2607957
S-(4,6-dimethylpyrimidin-2-yl) 5-(2-phenylethynyl)furan-2-carbothioate
CID 168269364
1-(1-Benzofuran-2-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 2355284
Methyl 5-(quinazolin-4-yloxymethyl)furan-2-carboxylate
CID 4786350
2-(2-Tert-butylquinazolin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 1442469
N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2396077
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-quinazolin-4-ylsulfanylethanone
CID 4882471
1-(4-Methoxyphenyl)-2-[2-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-yl]sulfanylethanone
CID 2826202
(E)-3-(2-fluorophenyl)-1-[4-(2-quinazolin-4-ylsulfanylethoxy)phenyl]prop-2-en-1-one
CID 141394272
(E)-1-[4-(2-quinazolin-4-ylsulfanylethoxy)phenyl]-3-[2-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 141394299

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone (CID 5295556) is 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone is Cc1ccc(C(=O)CSc2ncnc3ccccc23)o1.
What is the InChIKey of 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is XFLCRBRJZVQBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c1-10-6-7-14(19-10)13(18)8-20-15-11-4-2-3-5-12(11)16-9-17-15/h2-7,9H,8H2,1H3.
What are the key properties of 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone?
1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 284.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 5295556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).