1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one

C17H28N2O2 — CID 104648401

IUPAC1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCNC1CCCc2c1ccc(=O)n2CCCCOC
InChIInChI=1S/C17H28N2O2/c1-3-11-18-15-7-6-8-16-14(15)9-10-17(20)19(16)12-4-5-13-21-2/h9-10,15,18H,3-8,11-13H2,1-2H3
InChIKeyIHTTXLOXHZPOCL-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.65
Rot. Bonds8

About 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one

1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 104648401) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID104648401
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCCNC1CCCc2c1ccc(=O)n2CCCCOC
InChIInChI=1S/C17H28N2O2/c1-3-11-18-15-7-6-8-16-14(15)9-10-17(20)19(16)12-4-5-13-21-2/h9-10,15,18H,3-8,11-13H2,1-2H3
InChIKeyIHTTXLOXHZPOCL-UHFFFAOYSA-N
XLogP2.65
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.65
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 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one (CID 104648401) is 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one is CCCNC1CCCc2c1ccc(=O)n2CCCCOC.
What is the InChIKey of 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is IHTTXLOXHZPOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-11-18-15-7-6-8-16-14(15)9-10-17(20)19(16)12-4-5-13-21-2/h9-10,15,18H,3-8,11-13H2,1-2H3.
What are the key properties of 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one?
1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)-5-(propylamino)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 104648401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).