ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate

C20H21N3O4S — CID 2362325

IUPACethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1CC
InChIInChI=1S/C20H21N3O4S/c1-4-13-12(3)28-19(17(13)20(25)26-5-2)23-16(24)10-27-18-14-8-6-7-9-15(14)21-11-22-18/h6-9,11H,4-5,10H2,1-3H3,(H,23,24)
InChIKeyPZMJIWCNSXJKLN-UHFFFAOYSA-N
MW399.47 g/mol
LogP3.76
Rot. Bonds7

About ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate

ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate (PubChem CID 2362325) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
PubChem CID2362325
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Nameethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1CC
InChIInChI=1S/C20H21N3O4S/c1-4-13-12(3)28-19(17(13)20(25)26-5-2)23-16(24)10-27-18-14-8-6-7-9-15(14)21-11-22-18/h6-9,11H,4-5,10H2,1-3H3,(H,23,24)
InChIKeyPZMJIWCNSXJKLN-UHFFFAOYSA-N
XLogP3.76
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate with MolForge

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Related Compounds

Ethyl 5-acetyl-4-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
CID 2086114
Ethyl 4,5-dimethyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 2361759
Methyl 4,5-dimethyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 2412452
4,5-Dimethyl-2-[[1-oxo-2-(4-quinazolinyloxy)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester
CID 2383159
Ethyl 5-acetyl-4-methyl-2-[(2-quinazolin-4-ylsulfanylacetyl)amino]thiophene-3-carboxylate
CID 2091218
Methyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
CID 2375710
Diethyl 3-methyl-5-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-2,4-dicarboxylate
CID 2383327
N-[2-(2-pyrrolidin-1-ylquinazolin-4-yl)oxyethyl]thiophene-2-carboxamide
CID 156011685
Diethyl 3-methyl-5-(2-(quinazolin-4-ylthio)propanamido)thiophene-2,4-dicarboxylate
CID 6620121
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinazolin-4-yloxyacetamide
CID 2377065
Ethyl 2-(2-(quinazolin-4-ylthio)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
CID 5137631
N-(2-acetylphenyl)-2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxyacetamide
CID 2121735

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate (CID 2362325) is ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1CC.
What is the InChIKey of ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
The InChIKey is PZMJIWCNSXJKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-4-13-12(3)28-19(17(13)20(25)26-5-2)23-16(24)10-27-18-14-8-6-7-9-15(14)21-11-22-18/h6-9,11H,4-5,10H2,1-3H3,(H,23,24).
What are the key properties of ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate has a molecular weight of 399.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-5-methyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2362325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).