2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one

C20H16N2O2S — CID 652975

IUPAC2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1
InChIInChI=1S/C20H16N2O2S/c23-19-17-10-4-5-11-18(17)21-20(22(19)13-16-9-6-12-24-16)25-14-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyCKYOKMZTBRVLQO-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.33
Rot. Bonds5

About 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one

2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one (PubChem CID 652975) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
PubChem CID652975
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Name2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1
InChIInChI=1S/C20H16N2O2S/c23-19-17-10-4-5-11-18(17)21-20(22(19)13-16-9-6-12-24-16)25-14-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyCKYOKMZTBRVLQO-UHFFFAOYSA-N
XLogP4.33
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4(3H)-Quinazolinone, 3-furfuryl-2-methyl-
CID 64027
3-(2-Furylmethyl)-2-(mesitylimino)-1,3-thiazolan-4-one
CID 557424
2-{5-[(4-fluorobenzyl)thio]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-2-yl}-N-(2-furylmethyl)acetamide
CID 3243352
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
CID 683379
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
N-(4-oxo-4H-3,1-benzothiazin-2-yl)-2-furamide
CID 2810063
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
CID 3936405
2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
3-(Furan-2-ylmethyl)quinazolin-4-one
CID 332456
3-Benzyl-2-(2-furyl)-3,4-dihydro-4-quinazolinone
CID 563918
3-(furan-2-ylmethyl)-2-((2-methylallyl)thio)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 1384776
3-(furan-2-ylmethyl)-2-(propylsulfanyl)-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one
CID 1601355

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one (CID 652975) is 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one is O=c1c2ccccc2nc(SCc2ccccc2)n1Cc1ccco1.
What is the InChIKey of 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one?
The InChIKey is CKYOKMZTBRVLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c23-19-17-10-4-5-11-18(17)21-20(22(19)13-16-9-6-12-24-16)25-14-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one?
2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3-(furan-2-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 652975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).