4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride

C19H21ClN2OS — CID 13200283

IUPAC4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride
SMILESCN(C)CCSc1nc2ccccc2cc1-c1ccc(O)cc1.Cl
InChIInChI=1S/C19H20N2OS.ClH/c1-21(2)11-12-23-19-17(14-7-9-16(22)10-8-14)13-15-5-3-4-6-18(15)20-19;/h3-10,13,22H,11-12H2,1-2H3;1H
InChIKeyYITQNFULOYTRKN-UHFFFAOYSA-N
MW360.91 g/mol
LogP4.68
Rot. Bonds5

About 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride

4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride (PubChem CID 13200283) has the molecular formula C19H21ClN2OS and a molecular weight of 360.91 g/mol. Its IUPAC name is 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride
PubChem CID13200283
Molecular FormulaC19H21ClN2OS
Molecular Weight360.91 g/mol
Exact Mass360.11
IUPAC Name4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride
SMILESCN(C)CCSc1nc2ccccc2cc1-c1ccc(O)cc1.Cl
InChIInChI=1S/C19H20N2OS.ClH/c1-21(2)11-12-23-19-17(14-7-9-16(22)10-8-14)13-15-5-3-4-6-18(15)20-19;/h3-10,13,22H,11-12H2,1-2H3;1H
InChIKeyYITQNFULOYTRKN-UHFFFAOYSA-N
XLogP4.68
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride?
The IUPAC name of 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride (CID 13200283) is 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride.
What is the SMILES notation for 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride?
The canonical SMILES for 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride is CN(C)CCSc1nc2ccccc2cc1-c1ccc(O)cc1.Cl.
What is the InChIKey of 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride?
The InChIKey is YITQNFULOYTRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS.ClH/c1-21(2)11-12-23-19-17(14-7-9-16(22)10-8-14)13-15-5-3-4-6-18(15)20-19;/h3-10,13,22H,11-12H2,1-2H3;1H.
What are the key properties of 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride?
4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(dimethylamino)ethylsulfanyl]quinolin-3-yl]phenol;hydrochloride is sourced from PubChem (CID 13200283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).