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

C19H20BrClN2S — CID 13200252

IUPAC2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCSc1nc2ccccc2cc1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C19H19BrN2S.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
InChIKeyHYVSOWVOVFIVND-UHFFFAOYSA-N
MW423.81 g/mol
LogP5.74
Rot. Bonds5

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

2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride (PubChem CID 13200252) has the molecular formula C19H20BrClN2S and a molecular weight of 423.81 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
PubChem CID13200252
Molecular FormulaC19H20BrClN2S
Molecular Weight423.81 g/mol
Exact Mass422.02
IUPAC Name2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride
SMILESCN(C)CCSc1nc2ccccc2cc1-c1ccc(Br)cc1.Cl
InChIInChI=1S/C19H19BrN2S.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
InChIKeyHYVSOWVOVFIVND-UHFFFAOYSA-N
XLogP5.74
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.81
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride
CID 13200283
2-(6-bromo-3-phenylquinolin-2-yl)sulfanyl-N,N-dimethylethanamine
CID 13200243
N,N-dimethyl-3-(3-phenylquinolin-2-yl)sulfanylpropan-1-amine
CID 70548280
2-[3-(2,5-dimethoxyphenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine
CID 13200259
N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine
CID 45034457
4-(4-bromophenyl)acridine
CID 23088551
N,N-diethyl-2-(3-ethylquinolin-2-yl)sulfanylethanamine;hydrochloride
CID 171668935
magnesium;2-(4-bromophenyl)sulfanyl-N,N-dimethylethanamine;hydride
CID 173311405
4-(4-bromophenyl)-2-phenyl-5,6-dihydrobenzo[j][1,7]phenanthroline
CID 134689882
[2-(2-methoxyethylsulfanyl)quinolin-3-yl]methanol
CID 55240821
1-bromo-4-(2-ethylsulfanylphenyl)benzene
CID 67283557
2-(2-methoxyphenyl)sulfanyl-3-phenylquinoline
CID 3709839

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The IUPAC name of 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride (CID 13200252) is 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride.
What is the SMILES notation for 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The canonical SMILES for 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride is CN(C)CCSc1nc2ccccc2cc1-c1ccc(Br)cc1.Cl.
What is the InChIKey of 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
The InChIKey is HYVSOWVOVFIVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2S.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-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride?
2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride has a molecular weight of 423.81 g/mol, XLogP of 5.74, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)quinolin-2-yl]sulfanyl-N,N-dimethylethanamine;hydrochloride is sourced from PubChem (CID 13200252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).