methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate

C18H17NO3S — CID 2566752

IUPACmethyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2cc(C)c3cccc(C)c3n2)o1
InChIInChI=1S/C18H17NO3S/c1-11-5-4-6-14-12(2)9-16(19-17(11)14)23-10-13-7-8-15(22-13)18(20)21-3/h4-9H,10H2,1-3H3
InChIKeySRMCSVDJIXFMCA-UHFFFAOYSA-N
MW327.41 g/mol
LogP4.52
Rot. Bonds4

About methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate

methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 2566752) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID2566752
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Namemethyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2cc(C)c3cccc(C)c3n2)o1
InChIInChI=1S/C18H17NO3S/c1-11-5-4-6-14-12(2)9-16(19-17(11)14)23-10-13-7-8-15(22-13)18(20)21-3/h4-9H,10H2,1-3H3
InChIKeySRMCSVDJIXFMCA-UHFFFAOYSA-N
XLogP4.52
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-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

Methyl 5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2098683
[2-(4-Methoxyphenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218255
2-(3-Methoxyphenyl)-2-oxoethyl 2-(2-thienyl)-4-quinolinecarboxylate
CID 1218256
Methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2404039
1-(2-Benzofuranyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone
CID 2493207
Ethyl 5-[[2,8-bis(trifluoromethyl)-4-quinolyl]oxymethyl]furan-2-carboxylate
CID 44572687
1-[4-Methoxy-3-[(4-methylquinolin-2-yl)sulfanylmethyl]phenyl]ethanone
CID 737809
(5-Methoxycarbonylfuran-2-yl)methyl 1,2,3,4-tetrahydroacridine-9-carboxylate
CID 2626979
methyl 5-(((2-methyl-1H-indol-3-yl)thio)methyl)furan-2-carboxylate
CID 7100459
1-(Furan-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylethanone
CID 16261380
7-fluoro-2-[(E)-2-(5-methoxycarbonylfuran-2-yl)ethenyl]quinoline-4-carboxylic acid
CID 53542600
Methyl 5-({[4-cyano-1-(trifluoromethyl)-5,6-dihydrobenzo[h]isoquinolin-3-yl]sulfanyl}methyl)furan-2-carboxylate
CID 19579269

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate (CID 2566752) is methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2cc(C)c3cccc(C)c3n2)o1.
What is the InChIKey of methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is SRMCSVDJIXFMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-11-5-4-6-14-12(2)9-16(19-17(11)14)23-10-13-7-8-15(22-13)18(20)21-3/h4-9H,10H2,1-3H3.
What are the key properties of methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 327.41 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 2566752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).