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

C17H14ClN3O4S — CID 17016505

IUPACethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)nc1C
InChIInChI=1S/C17H14ClN3O4S/c1-3-25-16(24)14-8(2)20-17(26-14)21-15(23)11-7-19-12-5-4-9(18)6-10(12)13(11)22/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeySHPMTKFXVDGXAF-UHFFFAOYSA-N
MW391.84 g/mol
LogP3.38
Rot. Bonds4

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

ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 17016505) has the molecular formula C17H14ClN3O4S and a molecular weight of 391.84 g/mol. Its IUPAC name is ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID17016505
Molecular FormulaC17H14ClN3O4S
Molecular Weight391.84 g/mol
Exact Mass391.04
IUPAC Nameethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)nc1C
InChIInChI=1S/C17H14ClN3O4S/c1-3-25-16(24)14-8(2)20-17(26-14)21-15(23)11-7-19-12-5-4-9(18)6-10(12)13(11)22/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23)
InChIKeySHPMTKFXVDGXAF-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-[(6-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-[(8-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39849526
ethyl 6-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-oxo-1H-quinoline-3-carboxylate
CID 39850158
ethyl 2-[(6-chloro-4-oxo-1-propan-2-ylquinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 39851502
ethyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1366564
ethyl 2-[[2-(1H-indol-3-yl)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266806
ethyl 2-(3-chloro-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 68753282
ethyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2163918
6-chloro-4-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 17016504
ethyl 2-[(4-chlorobenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2281451
ethyl 2-[(2-chloro-5-piperidin-1-ylsulfonylbenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266863
ethyl 2-[[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 45276934
ethyl 2-[(3-chloro-4-methoxybenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1047479

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 17016505) is ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)nc1C.
What is the InChIKey of ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is SHPMTKFXVDGXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O4S/c1-3-25-16(24)14-8(2)20-17(26-14)21-15(23)11-7-19-12-5-4-9(18)6-10(12)13(11)22/h4-7H,3H2,1-2H3,(H,19,22)(H,20,21,23).
What are the key properties of ethyl 2-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(6-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-[(6-chloro-4-oxo-1H-quinoline-3-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 17016505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).