2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine

C21H24N2O2S — CID 13200259

IUPAC2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine
SMILESCOc1ccc(OC)c(-c2cc3ccccc3nc2SCCN(C)C)c1
InChIInChI=1S/C21H24N2O2S/c1-23(2)11-12-26-21-18(13-15-7-5-6-8-19(15)22-21)17-14-16(24-3)9-10-20(17)25-4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyGWODHXBLLHLRNA-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.57
Rot. Bonds7

About 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine

2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine (PubChem CID 13200259) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine
PubChem CID13200259
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine
SMILESCOc1ccc(OC)c(-c2cc3ccccc3nc2SCCN(C)C)c1
InChIInChI=1S/C21H24N2O2S/c1-23(2)11-12-26-21-18(13-15-7-5-6-8-19(15)22-21)17-14-16(24-3)9-10-20(17)25-4/h5-10,13-14H,11-12H2,1-4H3
InChIKeyGWODHXBLLHLRNA-UHFFFAOYSA-N
XLogP4.57
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethanamine, N,N-dimethyl-2-((3-(2-methoxyphenyl)-2-quinolinyl)thio)-, monohydrochloride
CID 3069816
Quinolinium, 1-ethyl-2-(ethylthio)-6-methoxy-, iodide (1:1)
CID 114298
3-(2,7-Dimethoxyacridin-9-ylthio)propan-1-amine
CID 53390843
N-cyclopentyl-2-[(6-methoxy-3-methyl-2-quinolinyl)thio]acetamide
CID 862401
6-Methoxy-2-methylthioquinoline-3-carbonitrile
CID 865458
3-[(6-Methoxy-4-methyl-2-quinolinyl)thio]propanoic acid
CID 939671
2-Ethylsulfanyl-6-methoxy-quinoline-3-carbonitrile
CID 865459
Quinoline, 4-(2,5-dimethoxystyryl)-
CID 5929717
2-[3-(4-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
CID 13200248
2-(2-Dimethylaminoethylthio)-3-(p-hydroxyphenyl)quinoline hydrochloride
CID 13200283
2-(2-Dimethylaminoethylthio)-4-methoxy-3-o-tolylquinoline hydrochloride
CID 14001273
6-Methoxy-4-methyl-2-methylsulfanylquinoline
CID 942030

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine?
The IUPAC name of 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine (CID 13200259) is 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine.
What is the SMILES notation for 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine?
The canonical SMILES for 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine is COc1ccc(OC)c(-c2cc3ccccc3nc2SCCN(C)C)c1.
What is the InChIKey of 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine?
The InChIKey is GWODHXBLLHLRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-23(2)11-12-26-21-18(13-15-7-5-6-8-19(15)22-21)17-14-16(24-3)9-10-20(17)25-4/h5-10,13-14H,11-12H2,1-4H3.
What are the key properties of 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine?
2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine has a molecular weight of 368.50 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine is sourced from PubChem (CID 13200259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).