methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate

C16H14N2O4S2 — CID 166390240

IUPACmethyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(SCc2cc3cc(OC)ccc3[nH]c2=O)n1
InChIInChI=1S/C16H14N2O4S2/c1-21-11-3-4-12-9(6-11)5-10(14(19)17-12)7-23-16-18-13(8-24-16)15(20)22-2/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyXJNWGKQPPCHMME-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.07
Rot. Bonds5

About methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate

methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate (PubChem CID 166390240) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate
PubChem CID166390240
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Namemethyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(SCc2cc3cc(OC)ccc3[nH]c2=O)n1
InChIInChI=1S/C16H14N2O4S2/c1-21-11-3-4-12-9(6-11)5-10(14(19)17-12)7-23-16-18-13(8-24-16)15(20)22-2/h3-6,8H,7H2,1-2H3,(H,17,19)
InChIKeyXJNWGKQPPCHMME-UHFFFAOYSA-N
XLogP3.07
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

3-(hydroxymethyl)-6-methoxy-1H-quinolin-2-one
CID 865120
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324860
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
3-[[4-(4-chlorophenyl)pyrimidin-2-yl]sulfanylmethyl]-6-methoxy-1H-quinolin-2-one
CID 172991878
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
2-amino-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoic acid;hydrochloride
CID 13342125
6-methoxy-3-[(4-naphthalen-2-ylpyrimidin-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 175666045
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate (CID 166390240) is methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(SCc2cc3cc(OC)ccc3[nH]c2=O)n1.
What is the InChIKey of methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate?
The InChIKey is XJNWGKQPPCHMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-21-11-3-4-12-9(6-11)5-10(14(19)17-12)7-23-16-18-13(8-24-16)15(20)22-2/h3-6,8H,7H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate?
methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methylsulfanyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 166390240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).