ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

C19H16N4O2S — CID 15996385

IUPACethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(Nc3cnc4ccccc4c3)c2c1C
InChIInChI=1S/C19H16N4O2S/c1-3-25-19(24)16-11(2)15-17(21-10-22-18(15)26-16)23-13-8-12-6-4-5-7-14(12)20-9-13/h4-10H,3H2,1-2H3,(H,21,22,23)
InChIKeyBGEMPOYSWUNGOW-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.47
Rot. Bonds4

About ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate

ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate (PubChem CID 15996385) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate
PubChem CID15996385
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Nameethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1sc2ncnc(Nc3cnc4ccccc4c3)c2c1C
InChIInChI=1S/C19H16N4O2S/c1-3-25-19(24)16-11(2)15-17(21-10-22-18(15)26-16)23-13-8-12-6-4-5-7-14(12)20-9-13/h4-10H,3H2,1-2H3,(H,21,22,23)
InChIKeyBGEMPOYSWUNGOW-UHFFFAOYSA-N
XLogP4.47
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate (CID 15996385) is ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate is CCOC(=O)c1sc2ncnc(Nc3cnc4ccccc4c3)c2c1C.
What is the InChIKey of ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is BGEMPOYSWUNGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-3-25-19(24)16-11(2)15-17(21-10-22-18(15)26-16)23-13-8-12-6-4-5-7-14(12)20-9-13/h4-10H,3H2,1-2H3,(H,21,22,23).
What are the key properties of ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate?
ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 364.43 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-(quinolin-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 15996385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).