(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

C15H12N2O3S — CID 2573534

IUPAC(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1nc(COC(=O)c2cc(=O)[nH]c3ccccc23)cs1
InChIInChI=1S/C15H12N2O3S/c1-9-16-10(8-21-9)7-20-15(19)12-6-14(18)17-13-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyYXCRRQIINYOHEC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.65
Rot. Bonds3

About (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate

(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (PubChem CID 2573534) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
PubChem CID2573534
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
SMILESCc1nc(COC(=O)c2cc(=O)[nH]c3ccccc23)cs1
InChIInChI=1S/C15H12N2O3S/c1-9-16-10(8-21-9)7-20-15(19)12-6-14(18)17-13-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H,17,18)
InChIKeyYXCRRQIINYOHEC-UHFFFAOYSA-N
XLogP2.65
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 2387635
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 30600917
(2-chlorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 895054
phenacyl 2-oxo-1H-quinoline-4-carboxylate
CID 684408
(2-methyl-1,3-thiazol-4-yl)methyl 4-amino-2-methylbenzoate
CID 64982506
(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853364
methanamine;2-oxo-1H-quinoline-4-carboxylic acid
CID 143703164
2-(4-methoxyphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431955
(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8789210
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 7761796
2-(3-methylphenoxy)ethyl 2-oxo-1H-quinoline-4-carboxylate
CID 2431953
(4-bromo-2-fluorophenyl)methyl 2-oxo-1H-quinoline-4-carboxylate
CID 8853363

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The IUPAC name of (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate (CID 2573534) is (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate.
What is the SMILES notation for (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The canonical SMILES for (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is Cc1nc(COC(=O)c2cc(=O)[nH]c3ccccc23)cs1.
What is the InChIKey of (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
The InChIKey is YXCRRQIINYOHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c1-9-16-10(8-21-9)7-20-15(19)12-6-14(18)17-13-5-3-2-4-11(12)13/h2-6,8H,7H2,1H3,(H,17,18).
What are the key properties of (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate?
(2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate has a molecular weight of 300.34 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-thiazol-4-yl)methyl 2-oxo-1H-quinoline-4-carboxylate is sourced from PubChem (CID 2573534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).