3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one

C22H18N2O3S — CID 2999945

IUPAC3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C22H18N2O3S/c1-15(20(25)16-8-3-2-4-9-16)28-22-23-19-12-6-5-11-18(19)21(26)24(22)14-17-10-7-13-27-17/h2-13,15H,14H2,1H3
InChIKeyLWRVPLVNFMWCJA-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.40
Rot. Bonds6

About 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one

3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one (PubChem CID 2999945) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
PubChem CID2999945
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC Name3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one
SMILESCC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccccc1
InChIInChI=1S/C22H18N2O3S/c1-15(20(25)16-8-3-2-4-9-16)28-22-23-19-12-6-5-11-18(19)21(26)24(22)14-17-10-7-13-27-17/h2-13,15H,14H2,1H3
InChIKeyLWRVPLVNFMWCJA-UHFFFAOYSA-N
XLogP4.40
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one (CID 2999945) is 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one is CC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccccc1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
The InChIKey is LWRVPLVNFMWCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-15(20(25)16-8-3-2-4-9-16)28-22-23-19-12-6-5-11-18(19)21(26)24(22)14-17-10-7-13-27-17/h2-13,15H,14H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one has a molecular weight of 390.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-(1-oxo-1-phenylpropan-2-yl)sulfanylquinazolin-4-one is sourced from PubChem (CID 2999945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).