ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate

C17H16N4O4S — CID 166517255

IUPACethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccc3c(=O)cc(C(N)=O)n(C)c3c2)s1
InChIInChI=1S/C17H16N4O4S/c1-3-25-16(24)14-8-19-17(26-14)20-9-4-5-10-11(6-9)21(2)12(15(18)23)7-13(10)22/h4-8H,3H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyRLJOWRXQPOTKEL-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.01
Rot. Bonds5

About ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate

ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 166517255) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID166517255
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Nameethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(Nc2ccc3c(=O)cc(C(N)=O)n(C)c3c2)s1
InChIInChI=1S/C17H16N4O4S/c1-3-25-16(24)14-8-19-17(26-14)20-9-4-5-10-11(6-9)21(2)12(15(18)23)7-13(10)22/h4-8H,3H2,1-2H3,(H2,18,23)(H,19,20)
InChIKeyRLJOWRXQPOTKEL-UHFFFAOYSA-N
XLogP2.01
TPSA116.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate (CID 166517255) is ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(Nc2ccc3c(=O)cc(C(N)=O)n(C)c3c2)s1.
What is the InChIKey of ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is RLJOWRXQPOTKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-3-25-16(24)14-8-19-17(26-14)20-9-4-5-10-11(6-9)21(2)12(15(18)23)7-13(10)22/h4-8H,3H2,1-2H3,(H2,18,23)(H,19,20).
What are the key properties of ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 372.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-carbamoyl-1-methyl-4-oxoquinolin-7-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 166517255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).