5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

C15H24N2O3 — CID 81104358

IUPAC5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCOCCO
InChIInChI=1S/C15H24N2O3/c1-2-16-13-4-3-5-14-12(13)6-7-15(19)17(14)8-10-20-11-9-18/h6-7,13,16,18H,2-5,8-11H2,1H3
InChIKeyPFMLCRXTVVBNHG-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.84
Rot. Bonds7

About 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one

5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104358) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104358
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCOCCO
InChIInChI=1S/C15H24N2O3/c1-2-16-13-4-3-5-14-12(13)6-7-15(19)17(14)8-10-20-11-9-18/h6-7,13,16,18H,2-5,8-11H2,1H3
InChIKeyPFMLCRXTVVBNHG-UHFFFAOYSA-N
XLogP0.84
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.84
H-Bond Donors ≤ 52
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 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one (CID 81104358) is 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is CCNC1CCCc2c1ccc(=O)n2CCOCCO.
What is the InChIKey of 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is PFMLCRXTVVBNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-2-16-13-4-3-5-14-12(13)6-7-15(19)17(14)8-10-20-11-9-18/h6-7,13,16,18H,2-5,8-11H2,1H3.
What are the key properties of 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one?
5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-[2-(2-hydroxyethoxy)ethyl]-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).