methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate

C19H19NO3S — CID 2404039

IUPACmethyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1
InChIInChI=1S/C19H19NO3S/c1-11-7-13(3)18-15(8-11)12(2)9-17(20-18)24-10-14-5-6-16(23-14)19(21)22-4/h5-9H,10H2,1-4H3
InChIKeyWHTNXYZDYOFMLE-UHFFFAOYSA-N
MW341.43 g/mol
LogP4.83
Rot. Bonds4

About methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate

methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate (PubChem CID 2404039) has the molecular formula C19H19NO3S and a molecular weight of 341.43 g/mol. Its IUPAC name is methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
PubChem CID2404039
Molecular FormulaC19H19NO3S
Molecular Weight341.43 g/mol
Exact Mass341.11
IUPAC Namemethyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1
InChIInChI=1S/C19H19NO3S/c1-11-7-13(3)18-15(8-11)12(2)9-17(20-18)24-10-14-5-6-16(23-14)19(21)22-4/h5-9H,10H2,1-4H3
InChIKeyWHTNXYZDYOFMLE-UHFFFAOYSA-N
XLogP4.83
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[(4,6,8-trimethylquinolin-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
1-(2-Benzofuranyl)-2-[(4-methyl-2-quinolinyl)thio]ethanone
CID 2493207
Methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2566752
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
Methyl 5-({[4-cyano-1-(trifluoromethyl)-5,6-dihydrobenzo[h]isoquinolin-3-yl]sulfanyl}methyl)furan-2-carboxylate
CID 19579269
Furan-2-yl-(2-methylsulfanyl-4-phenylquinolin-3-yl)methanone
CID 139256396
2-(4,8-Dimethylquinolin-2-yl)sulfanyl-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 7549672

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate (CID 2404039) is methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate is COC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1.
What is the InChIKey of methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
The InChIKey is WHTNXYZDYOFMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3S/c1-11-7-13(3)18-15(8-11)12(2)9-17(20-18)24-10-14-5-6-16(23-14)19(21)22-4/h5-9H,10H2,1-4H3.
What are the key properties of methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate?
methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate has a molecular weight of 341.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate is sourced from PubChem (CID 2404039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).