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

C20H22N2O4 — CID 155536314

IUPAC8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1
InChIInChI=1S/C20H22N2O4/c23-14-5-1-3-13(11-14)4-2-10-21-12-18(25)15-6-8-17(24)20-16(15)7-9-19(26)22-20/h1,3,5-9,11,18,21,23-25H,2,4,10,12H2,(H,22,26)
InChIKeyKRPZILIWVMUVCF-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.20
Rot. Bonds7

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

8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one (PubChem CID 155536314) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one
PubChem CID155536314
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1
InChIInChI=1S/C20H22N2O4/c23-14-5-1-3-13(11-14)4-2-10-21-12-18(25)15-6-8-17(24)20-16(15)7-9-19(26)22-20/h1,3,5-9,11,18,21,23-25H,2,4,10,12H2,(H,22,26)
InChIKeyKRPZILIWVMUVCF-UHFFFAOYSA-N
XLogP2.20
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one (CID 155536314) is 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one is O=c1ccc2c(C(O)CNCCCc3cccc(O)c3)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one?
The InChIKey is KRPZILIWVMUVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-14-5-1-3-13(11-14)4-2-10-21-12-18(25)15-6-8-17(24)20-16(15)7-9-19(26)22-20/h1,3,5-9,11,18,21,23-25H,2,4,10,12H2,(H,22,26).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one has a molecular weight of 354.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-[3-(3-hydroxyphenyl)propylamino]ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 155536314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).