8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one

C19H20N2O4 — CID 155551133

IUPAC8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1
InChIInChI=1S/C19H20N2O4/c22-16-8-6-14(15-7-9-18(24)21-19(15)16)17(23)12-20-10-11-25-13-4-2-1-3-5-13/h1-9,17,20,22-23H,10-12H2,(H,21,24)
InChIKeyQWOHLTIRTAWJNE-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.94
Rot. Bonds7

About 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one

8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one (PubChem CID 155551133) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one
PubChem CID155551133
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one
SMILESO=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1
InChIInChI=1S/C19H20N2O4/c22-16-8-6-14(15-7-9-18(24)21-19(15)16)17(23)12-20-10-11-25-13-4-2-1-3-5-13/h1-9,17,20,22-23H,10-12H2,(H,21,24)
InChIKeyQWOHLTIRTAWJNE-UHFFFAOYSA-N
XLogP1.94
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one (CID 155551133) is 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one is O=c1ccc2c(C(O)CNCCOc3ccccc3)ccc(O)c2[nH]1.
What is the InChIKey of 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one?
The InChIKey is QWOHLTIRTAWJNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-16-8-6-14(15-7-9-18(24)21-19(15)16)17(23)12-20-10-11-25-13-4-2-1-3-5-13/h1-9,17,20,22-23H,10-12H2,(H,21,24).
What are the key properties of 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one?
8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one has a molecular weight of 340.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-[1-hydroxy-2-(2-phenoxyethylamino)ethyl]-1H-quinolin-2-one is sourced from PubChem (CID 155551133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).