2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride

C20H23ClN2OS — CID 13200246

IUPAC2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCOc1cccc(-c2cc3ccccc3nc2SCCN(C)C)c1.Cl
InChIInChI=1S/C20H22N2OS.ClH/c1-22(2)11-12-24-20-18(15-8-6-9-17(13-15)23-3)14-16-7-4-5-10-19(16)21-20;/h4-10,13-14H,11-12H2,1-3H3;1H
InChIKeyYFNVFBILQLQWBZ-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.99
Rot. Bonds6

About 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride

2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride (PubChem CID 13200246) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
PubChem CID13200246
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCOc1cccc(-c2cc3ccccc3nc2SCCN(C)C)c1.Cl
InChIInChI=1S/C20H22N2OS.ClH/c1-22(2)11-12-24-20-18(15-8-6-9-17(13-15)23-3)14-16-7-4-5-10-19(16)21-20;/h4-10,13-14H,11-12H2,1-3H3;1H
InChIKeyYFNVFBILQLQWBZ-UHFFFAOYSA-N
XLogP4.99
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride (CID 13200246) is 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride is COc1cccc(-c2cc3ccccc3nc2SCCN(C)C)c1.Cl.
What is the InChIKey of 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The InChIKey is YFNVFBILQLQWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS.ClH/c1-22(2)11-12-24-20-18(15-8-6-9-17(13-15)23-3)14-16-7-4-5-10-19(16)21-20;/h4-10,13-14H,11-12H2,1-3H3;1H.
What are the key properties of 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride has a molecular weight of 374.94 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 13200246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).