2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride

C19H20ClFN2S — CID 13200213

IUPAC2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCSc1nc2ccccc2cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C19H19FN2S.ClH/c1-22(2)11-12-23-19-17(14-7-9-16(20)10-8-14)13-15-5-3-4-6-18(15)21-19;/h3-10,13H,11-12H2,1-2H3;1H
InChIKeyDLNDXYKMKUAQJS-UHFFFAOYSA-N
MW362.90 g/mol
LogP5.12
Rot. Bonds5

About 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride

2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride (PubChem CID 13200213) has the molecular formula C19H20ClFN2S and a molecular weight of 362.90 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
PubChem CID13200213
Molecular FormulaC19H20ClFN2S
Molecular Weight362.90 g/mol
Exact Mass362.10
IUPAC Name2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCSc1nc2ccccc2cc1-c1ccc(F)cc1.Cl
InChIInChI=1S/C19H19FN2S.ClH/c1-22(2)11-12-23-19-17(14-7-9-16(20)10-8-14)13-15-5-3-4-6-18(15)21-19;/h3-10,13H,11-12H2,1-2H3;1H
InChIKeyDLNDXYKMKUAQJS-UHFFFAOYSA-N
XLogP5.12
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.90
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride (CID 13200213) is 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride is CN(C)CCSc1nc2ccccc2cc1-c1ccc(F)cc1.Cl.
What is the InChIKey of 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The InChIKey is DLNDXYKMKUAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2S.ClH/c1-22(2)11-12-23-19-17(14-7-9-16(20)10-8-14)13-15-5-3-4-6-18(15)21-19;/h3-10,13H,11-12H2,1-2H3;1H.
What are the key properties of 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride has a molecular weight of 362.90 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 13200213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).