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

C15H24N2O2 — CID 81104141

IUPAC5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCOCCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C15H24N2O2/c1-2-3-10-19-11-9-17-14-6-4-5-13(16)12(14)7-8-15(17)18/h7-8,13H,2-6,9-11,16H2,1H3
InChIKeyDJIZSMHKNRXCOK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.00
Rot. Bonds6

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

5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 81104141) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID81104141
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCCOCCn1c2c(ccc1=O)C(N)CCC2
InChIInChI=1S/C15H24N2O2/c1-2-3-10-19-11-9-17-14-6-4-5-13(16)12(14)7-8-15(17)18/h7-8,13H,2-6,9-11,16H2,1H3
InChIKeyDJIZSMHKNRXCOK-UHFFFAOYSA-N
XLogP2.00
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 81104141) is 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCCCOCCn1c2c(ccc1=O)C(N)CCC2.
What is the InChIKey of 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is DJIZSMHKNRXCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-10-19-11-9-17-14-6-4-5-13(16)12(14)7-8-15(17)18/h7-8,13H,2-6,9-11,16H2,1H3.
What are the key properties of 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 264.37 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-butoxyethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 81104141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).