1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone

C14H10N2O2S — CID 2386629

IUPAC1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)c1ccco1
InChIInChI=1S/C14H10N2O2S/c17-12(13-6-3-7-18-13)8-19-14-10-4-1-2-5-11(10)15-9-16-14/h1-7,9H,8H2
InChIKeyWPTSZTJNUDLTHZ-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.20
Rot. Bonds4

About 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone

1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone (PubChem CID 2386629) has the molecular formula C14H10N2O2S and a molecular weight of 270.31 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
PubChem CID2386629
Molecular FormulaC14H10N2O2S
Molecular Weight270.31 g/mol
Exact Mass270.05
IUPAC Name1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2ccccc12)c1ccco1
InChIInChI=1S/C14H10N2O2S/c17-12(13-6-3-7-18-13)8-19-14-10-4-1-2-5-11(10)15-9-16-14/h1-7,9H,8H2
InChIKeyWPTSZTJNUDLTHZ-UHFFFAOYSA-N
XLogP3.20
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The IUPAC name of 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone (CID 2386629) is 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The canonical SMILES for 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone is O=C(CSc1ncnc2ccccc12)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone?
The InChIKey is WPTSZTJNUDLTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2S/c17-12(13-6-3-7-18-13)8-19-14-10-4-1-2-5-11(10)15-9-16-14/h1-7,9H,8H2.
What are the key properties of 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone?
1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone has a molecular weight of 270.31 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-quinazolin-4-ylsulfanylethanone is sourced from PubChem (CID 2386629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).