8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride

C21H25ClN2O3 — CID 164614248

IUPAC8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
SMILESCc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-14-5-2-3-6-15(14)7-4-12-22-13-19(25)16-8-10-18(24)21-17(16)9-11-20(26)23-21;/h2-3,5-6,8-11,19,22,24-25H,4,7,12-13H2,1H3,(H,23,26);1H
InChIKeyMKEAFKZFOCGOAS-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.22
Rot. Bonds7

About 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride

8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride (PubChem CID 164614248) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
PubChem CID164614248
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride
SMILESCc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl
InChIInChI=1S/C21H24N2O3.ClH/c1-14-5-2-3-6-15(14)7-4-12-22-13-19(25)16-8-10-18(24)21-17(16)9-11-20(26)23-21;/h2-3,5-6,8-11,19,22,24-25H,4,7,12-13H2,1H3,(H,23,26);1H
InChIKeyMKEAFKZFOCGOAS-UHFFFAOYSA-N
XLogP3.22
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Indacaterol
CID 6918554
Milveterol
CID 9892481
Abediterol
CID 11962616
Procaterol
CID 688563
Carmoterol
CID 63952
Indacaterol maleate
CID 9827599
Procaterol free base
CID 688561
TA-2005
CID 63951
Procaterol Hydrochloride
CID 16219912
8-Hydroxy-5-(1-hydroxy-2-((1-methylethyl)amino)butyl)-2(1H)-quinolinone
CID 4916
Procaterol HCl
CID 656601
M37E3NE7QB
CID 9871386

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride (CID 164614248) is 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride is Cc1ccccc1CCCNCC(O)c1ccc(O)c2[nH]c(=O)ccc12.Cl.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride?
The InChIKey is MKEAFKZFOCGOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3.ClH/c1-14-5-2-3-6-15(14)7-4-12-22-13-19(25)16-8-10-18(24)21-17(16)9-11-20(26)23-21;/h2-3,5-6,8-11,19,22,24-25H,4,7,12-13H2,1H3,(H,23,26);1H.
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride?
8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride has a molecular weight of 388.90 g/mol, XLogP of 3.22, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-[3-(2-methylphenyl)propylamino]ethyl]-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 164614248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).