ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C17H14ClN3O4S — CID 39849526

IUPACethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)nc1C
InChIInChI=1S/C17H14ClN3O4S/c1-3-25-16(24)14-8(2)20-17(26-14)21-15(23)10-7-19-12-9(13(10)22)5-4-6-11(12)18/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyCQXFNEGZAMHJBI-UHFFFAOYSA-N
MW391.84 g/mol
LogP3.38
Rot. Bonds4

About ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 39849526) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID39849526
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Nameethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)nc1C
InChIInChI=1S/C17H14ClN3O4S/c1-3-25-16(24)14-8(2)20-17(26-14)21-15(23)10-7-19-12-9(13(10)22)5-4-6-11(12)18/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeyCQXFNEGZAMHJBI-UHFFFAOYSA-N
XLogP3.38
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.84
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 17016505
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-8-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43831878
ethyl 2-[[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1192974
ethyl 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266863
ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39851502
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
ethyl 4-methyl-2-[[2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 2334051
ethyl 2-[2-(2,3-dichlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43077610
ethyl 2-[(3-chloro-4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1047479
ethyl 2-[(3-ethyl-4-oxophthalazine-1-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 4791044
ethyl 2-[[3-[(2-chlorobenzoyl)amino]-3-phenylpropanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 39849526) is ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)nc1C.
What is the InChIKey of ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is CQXFNEGZAMHJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-3-25-16(24)14-8(2)20-17(26-14)21-15(23)10-7-19-12-9(13(10)22)5-4-6-11(12)18/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 391.84 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 39849526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).