ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate

C23H25N3O6S — CID 3242616

IUPACethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2cc(C(=O)NCC3CCCO3)ccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C23H25N3O6S/c1-2-30-20(27)14-33-23-25-19-11-15(21(28)24-12-16-5-3-9-31-16)7-8-18(19)22(29)26(23)13-17-6-4-10-32-17/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,24,28)
InChIKeyWLOGZOSBCPMUGT-UHFFFAOYSA-N
MW471.54 g/mol
LogP2.60
Rot. Bonds9

About ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate

ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate (PubChem CID 3242616) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate
PubChem CID3242616
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC Nameethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate
SMILESCCOC(=O)CSc1nc2cc(C(=O)NCC3CCCO3)ccc2c(=O)n1Cc1ccco1
InChIInChI=1S/C23H25N3O6S/c1-2-30-20(27)14-33-23-25-19-11-15(21(28)24-12-16-5-3-9-31-16)7-8-18(19)22(29)26(23)13-17-6-4-10-32-17/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,24,28)
InChIKeyWLOGZOSBCPMUGT-UHFFFAOYSA-N
XLogP2.60
TPSA112.66 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate with MolForge

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Related Compounds

2-Allylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 331177
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
Ethyl [(3-{6-[(2-furylmethyl)amino]-6-oxohexyl}-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetate
CID 3245433
N-Furan-2-ylmethyl-2-(4-oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 644437
Furan-2-carboxylic acid {3-[2-(3-butyl-4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetylamino]-4-methyl-phenyl}-amide
CID 651051
2-Benzylsulfanyl-3-furan-2-ylmethyl-3H-quinazolin-4-one
CID 652975
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 864523
N-(furan-2-ylmethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 893670
2-[3-(4-ethoxyphenyl)-4-oxo(3-hydroquinazolin-2-ylthio)]-N-(2-furylmethyl)acet amide
CID 1071174
Ethyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1071955
N-[2-({2-[(2-furylmethyl)amino]-2-oxoethyl}thio)-4-oxo-3(4H)-quinazolinyl]-4-methoxybenzamide
CID 1292318
2-[(3-fluorobenzyl)thio]-3-(2-furylmethyl)-4(3H)-quinazolinone
CID 1300759

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate?
The IUPAC name of ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate (CID 3242616) is ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate.
What is the SMILES notation for ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate?
The canonical SMILES for ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate is CCOC(=O)CSc1nc2cc(C(=O)NCC3CCCO3)ccc2c(=O)n1Cc1ccco1.
What is the InChIKey of ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate?
The InChIKey is WLOGZOSBCPMUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-2-30-20(27)14-33-23-25-19-11-15(21(28)24-12-16-5-3-9-31-16)7-8-18(19)22(29)26(23)13-17-6-4-10-32-17/h4,6-8,10-11,16H,2-3,5,9,12-14H2,1H3,(H,24,28).
What are the key properties of ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate?
ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate has a molecular weight of 471.54 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(furan-2-ylmethyl)-4-oxo-7-(oxolan-2-ylmethylcarbamoyl)quinazolin-2-yl]sulfanylacetate is sourced from PubChem (CID 3242616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).