2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

C22H31N3O3 — CID 3240625

IUPAC2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-3-25-19-8-5-4-7-18(19)20(15-22(25)27)28-16-21(26)23-11-6-12-24-13-9-17(2)10-14-24/h4-5,7-8,15,17H,3,6,9-14,16H2,1-2H3,(H,23,26)
InChIKeyLJLKAWRXUYJQTB-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.64
Rot. Bonds8

About 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide

2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 3240625) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID3240625
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21
InChIInChI=1S/C22H31N3O3/c1-3-25-19-8-5-4-7-18(19)20(15-22(25)27)28-16-21(26)23-11-6-12-24-13-9-17(2)10-14-24/h4-5,7-8,15,17H,3,6,9-14,16H2,1-2H3,(H,23,26)
InChIKeyLJLKAWRXUYJQTB-UHFFFAOYSA-N
XLogP2.64
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.64
H-Bond Donors ≤ 51
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 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 3240625) is 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21.
What is the InChIKey of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is LJLKAWRXUYJQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-25-19-8-5-4-7-18(19)20(15-22(25)27)28-16-21(26)23-11-6-12-24-13-9-17(2)10-14-24/h4-5,7-8,15,17H,3,6,9-14,16H2,1-2H3,(H,23,26).
What are the key properties of 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 385.51 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 3240625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).