3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one

C19H19N3O3S — CID 1071958

IUPAC3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCCC1
InChIInChI=1S/C19H19N3O3S/c23-17(21-9-3-4-10-21)13-26-19-20-16-8-2-1-7-15(16)18(24)22(19)12-14-6-5-11-25-14/h1-2,5-8,11H,3-4,9-10,12-13H2
InChIKeyIMJPPGHBSZWAOC-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.75
Rot. Bonds5

About 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one

3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one (PubChem CID 1071958) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
PubChem CID1071958
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one
SMILESO=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCCC1
InChIInChI=1S/C19H19N3O3S/c23-17(21-9-3-4-10-21)13-26-19-20-16-8-2-1-7-15(16)18(24)22(19)12-14-6-5-11-25-14/h1-2,5-8,11H,3-4,9-10,12-13H2
InChIKeyIMJPPGHBSZWAOC-UHFFFAOYSA-N
XLogP2.75
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 2810063
2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylsulfanyl)-N-(furan-2-ylmethyl)acetamide
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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
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CID 1601355
3-(furan-2-ylmethyl)-2-propan-2-ylsulfanylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one
CID 1917736
7-methyl-5-(5-methyl-2-furyl)-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 2939982

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one?
The IUPAC name of 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one (CID 1071958) is 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one is O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCCC1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one?
The InChIKey is IMJPPGHBSZWAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-17(21-9-3-4-10-21)13-26-19-20-16-8-2-1-7-15(16)18(24)22(19)12-14-6-5-11-25-14/h1-2,5-8,11H,3-4,9-10,12-13H2.
What are the key properties of 3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one?
3-(furan-2-ylmethyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one has a molecular weight of 369.45 g/mol, XLogP of 2.75, 5 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-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylquinazolin-4-one is sourced from PubChem (CID 1071958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).