ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate

C17H16N2O4S — CID 1071955

IUPACethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C17H16N2O4S/c1-2-22-15(20)11-24-17-18-14-8-4-3-7-13(14)16(21)19(17)10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3
InChIKeyUMGIPGWSVDLYDW-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.69
Rot. Bonds6

About ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate

ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate (PubChem CID 1071955) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
PubChem CID1071955
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C17H16N2O4S/c1-2-22-15(20)11-24-17-18-14-8-4-3-7-13(14)16(21)19(17)10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3
InChIKeyUMGIPGWSVDLYDW-UHFFFAOYSA-N
XLogP2.69
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate (CID 1071955) is ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate is CCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1.
What is the InChIKey of ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
The InChIKey is UMGIPGWSVDLYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-2-22-15(20)11-24-17-18-14-8-4-3-7-13(14)16(21)19(17)10-12-6-5-9-23-12/h3-9H,2,10-11H2,1H3.
What are the key properties of ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate?
ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate has a molecular weight of 344.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate is sourced from PubChem (CID 1071955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).