ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate

C24H21N3O7S — CID 135519700

IUPACethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H21N3O7S/c1-2-32-24(31)21-15(17-8-5-11-33-17)13-35-23(21)27-19(28)12-34-20(29)10-9-18-25-16-7-4-3-6-14(16)22(30)26-18/h3-8,11,13H,2,9-10,12H2,1H3,(H,27,28)(H,25,26,30)
InChIKeyDYBHOJQEADJLSR-UHFFFAOYSA-N
MW495.51 g/mol
LogP3.54
Rot. Bonds9

About ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate

ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate (PubChem CID 135519700) has the molecular formula C24H21N3O7S and a molecular weight of 495.51 g/mol. Its IUPAC name is ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
PubChem CID135519700
Molecular FormulaC24H21N3O7S
Molecular Weight495.51 g/mol
Exact Mass495.11
IUPAC Nameethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C24H21N3O7S/c1-2-32-24(31)21-15(17-8-5-11-33-17)13-35-23(21)27-19(28)12-34-20(29)10-9-18-25-16-7-4-3-6-14(16)22(30)26-18/h3-8,11,13H,2,9-10,12H2,1H3,(H,27,28)(H,25,26,30)
InChIKeyDYBHOJQEADJLSR-UHFFFAOYSA-N
XLogP3.54
TPSA140.59 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate with MolForge

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Related Compounds

ethyl 4-(furan-2-yl)-2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]thiophene-3-carboxylate
CID 135891163
[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2468808
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7477607
[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135700118
ethyl 3-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]-5-phenylthiophene-2-carboxylate
CID 135441544
[2-[[3-ethoxycarbonyl-4-(furan-2-yl)thiophen-2-yl]amino]-2-oxoethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46605169
ethyl 4-(furan-2-yl)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]thiophene-3-carboxylate
CID 39902793
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 3-(4-oxo-3H-quinazolin-2-yl)propanoate
CID 135831902
ethyl 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 135891157
ethyl 4-(furan-2-yl)-2-[[2-[(1R,2R)-2-methylcyclopropanecarbonyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 7778424
ethyl 2-[[2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetyl]amino]-4-thiophen-2-ylthiophene-3-carboxylate
CID 135927443
ethyl 2-[[2-(2-chlorophenoxy)acetyl]amino]-4-(furan-2-yl)thiophene-3-carboxylate
CID 3430221

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate (CID 135519700) is ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)CCc1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
The InChIKey is DYBHOJQEADJLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O7S/c1-2-32-24(31)21-15(17-8-5-11-33-17)13-35-23(21)27-19(28)12-34-20(29)10-9-18-25-16-7-4-3-6-14(16)22(30)26-18/h3-8,11,13H,2,9-10,12H2,1H3,(H,27,28)(H,25,26,30).
What are the key properties of ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate?
ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate has a molecular weight of 495.51 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(furan-2-yl)-2-[[2-[3-(4-oxo-3H-quinazolin-2-yl)propanoyloxy]acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 135519700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).