5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O2 — CID 81104284

IUPAC5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCO
InChIInChI=1S/C13H20N2O2/c1-2-14-11-4-3-5-12-10(11)6-7-13(17)15(12)8-9-16/h6-7,11,14,16H,2-5,8-9H2,1H3
InChIKeyZCAKFTHEEQJKCQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP0.83
Rot. Bonds4

About 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104284) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104284
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCO
InChIInChI=1S/C13H20N2O2/c1-2-14-11-4-3-5-12-10(11)6-7-13(17)15(12)8-9-16/h6-7,11,14,16H,2-5,8-9H2,1H3
InChIKeyZCAKFTHEEQJKCQ-UHFFFAOYSA-N
XLogP0.83
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104284) is 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCNC1CCCc2c1ccc(=O)n2CCO.
What is the InChIKey of 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is ZCAKFTHEEQJKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-14-11-4-3-5-12-10(11)6-7-13(17)15(12)8-9-16/h6-7,11,14,16H,2-5,8-9H2,1H3.
What are the key properties of 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 236.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-(2-hydroxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).