ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C20H20ClN3O4S — CID 39851502

IUPACethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cn(C(C)C)c3ccc(Cl)cc3c2=O)nc1C
InChIInChI=1S/C20H20ClN3O4S/c1-5-28-19(27)17-11(4)22-20(29-17)23-18(26)14-9-24(10(2)3)15-7-6-12(21)8-13(15)16(14)25/h6-10H,5H2,1-4H3,(H,22,23,26)
InChIKeyAPFPENQDNBKTBY-UHFFFAOYSA-N
MW433.92 g/mol
LogP4.43
Rot. Bonds5

About ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 39851502) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID39851502
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC Nameethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2cn(C(C)C)c3ccc(Cl)cc3c2=O)nc1C
InChIInChI=1S/C20H20ClN3O4S/c1-5-28-19(27)17-11(4)22-20(29-17)23-18(26)14-9-24(10(2)3)15-7-6-12(21)8-13(15)16(14)25/h6-10H,5H2,1-4H3,(H,22,23,26)
InChIKeyAPFPENQDNBKTBY-UHFFFAOYSA-N
XLogP4.43
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 39851502) is ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2cn(C(C)C)c3ccc(Cl)cc3c2=O)nc1C.
What is the InChIKey of ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is APFPENQDNBKTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-5-28-19(27)17-11(4)22-20(29-17)23-18(26)14-9-24(10(2)3)15-7-6-12(21)8-13(15)16(14)25/h6-10H,5H2,1-4H3,(H,22,23,26).
What are the key properties of ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 433.92 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39851502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).