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

C19H19N3O4S — CID 2383159

IUPACethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1C
InChIInChI=1S/C19H19N3O4S/c1-4-25-19(24)16-11(2)12(3)27-18(16)22-15(23)9-26-17-13-7-5-6-8-14(13)20-10-21-17/h5-8,10H,4,9H2,1-3H3,(H,22,23)
InChIKeyUYALLXWKEKJHQP-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.50
Rot. Bonds6

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

ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate (PubChem CID 2383159) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
PubChem CID2383159
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Nameethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1C
InChIInChI=1S/C19H19N3O4S/c1-4-25-19(24)16-11(2)12(3)27-18(16)22-15(23)9-26-17-13-7-5-6-8-14(13)20-10-21-17/h5-8,10H,4,9H2,1-3H3,(H,22,23)
InChIKeyUYALLXWKEKJHQP-UHFFFAOYSA-N
XLogP3.50
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate (CID 2383159) is ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)COc2ncnc3ccccc23)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
The InChIKey is UYALLXWKEKJHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-4-25-19(24)16-11(2)12(3)27-18(16)22-15(23)9-26-17-13-7-5-6-8-14(13)20-10-21-17/h5-8,10H,4,9H2,1-3H3,(H,22,23).
What are the key properties of ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate has a molecular weight of 385.45 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[(2-quinazolin-4-yloxyacetyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 2383159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).