ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

C23H23N3O6S — CID 33357435

IUPACethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCC2
InChIInChI=1S/C23H23N3O6S/c1-2-31-23(30)20-15-7-5-9-17(15)33-21(20)25-18(27)12-32-19(28)10-11-26-13-24-16-8-4-3-6-14(16)22(26)29/h3-4,6,8,13H,2,5,7,9-12H2,1H3,(H,25,27)
InChIKeyFBGFULLZKMNEDX-UHFFFAOYSA-N
MW469.52 g/mol
LogP2.70
Rot. Bonds8

About ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (PubChem CID 33357435) has the molecular formula C23H23N3O6S and a molecular weight of 469.52 g/mol. Its IUPAC name is ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
PubChem CID33357435
Molecular FormulaC23H23N3O6S
Molecular Weight469.52 g/mol
Exact Mass469.13
IUPAC Nameethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCC2
InChIInChI=1S/C23H23N3O6S/c1-2-31-23(30)20-15-7-5-9-17(15)33-21(20)25-18(27)12-32-19(28)10-11-26-13-24-16-8-4-3-6-14(16)22(26)29/h3-4,6,8,13H,2,5,7,9-12H2,1H3,(H,25,27)
InChIKeyFBGFULLZKMNEDX-UHFFFAOYSA-N
XLogP2.70
TPSA116.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 6-methyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
CID 71296834
ethyl 6,6-dioxo-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate
CID 16602862
ethyl 6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4809011
methyl 2-[[2-[2-(benzimidazol-1-yl)acetyl]oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 2476016
ethyl 2-[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1155399
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(4-oxoquinazolin-3-yl)propanoate
CID 33357986
methyl 2-[[2-[2-(benzimidazol-1-yl)acetyl]oxyacetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
CID 2395684
ethyl 2-[3-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
CID 23889160
ethyl 2-[[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 3416347
ethyl 2-[[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19617167
ethyl 2-[[2-(2-methoxyacetyl)oxyacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 7775841
ethyl 2-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 1180606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate (CID 33357435) is ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COC(=O)CCn2cnc3ccccc3c2=O)sc2c1CCC2.
What is the InChIKey of ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
The InChIKey is FBGFULLZKMNEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O6S/c1-2-31-23(30)20-15-7-5-9-17(15)33-21(20)25-18(27)12-32-19(28)10-11-26-13-24-16-8-4-3-6-14(16)22(26)29/h3-4,6,8,13H,2,5,7,9-12H2,1H3,(H,25,27).
What are the key properties of ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate?
ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate has a molecular weight of 469.52 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[3-(4-oxoquinazolin-3-yl)propanoyloxy]acetyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate is sourced from PubChem (CID 33357435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).