5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

C13H20N2O2 — CID 81104350

IUPAC5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCOCCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C13H20N2O2/c1-2-17-9-8-15-12-5-3-4-11(14)10(12)6-7-13(15)16/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeyUKLYDXSICDLEIV-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.22
Rot. Bonds4

About 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one

5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104350) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104350
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCOCCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C13H20N2O2/c1-2-17-9-8-15-12-5-3-4-11(14)10(12)6-7-13(15)16/h6-7,11H,2-5,8-9,14H2,1H3
InChIKeyUKLYDXSICDLEIV-UHFFFAOYSA-N
XLogP1.22
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104350) is 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCOCCn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is UKLYDXSICDLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-17-9-8-15-12-5-3-4-11(14)10(12)6-7-13(15)16/h6-7,11H,2-5,8-9,14H2,1H3.
What are the key properties of 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 236.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-ethoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).