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

C21H29N3O3 — CID 3237244

IUPAC2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C21H29N3O3/c1-16-8-12-24(13-9-16)11-5-10-22-20(25)15-27-19-14-21(26)23(2)18-7-4-3-6-17(18)19/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3,(H,22,25)
InChIKeyVMZQVGYKTZZPQT-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.16
Rot. Bonds7

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

2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (PubChem CID 3237244) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
PubChem CID3237244
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide
SMILESCC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1
InChIInChI=1S/C21H29N3O3/c1-16-8-12-24(13-9-16)11-5-10-22-20(25)15-27-19-14-21(26)23(2)18-7-4-3-6-17(18)19/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3,(H,22,25)
InChIKeyVMZQVGYKTZZPQT-UHFFFAOYSA-N
XLogP2.16
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.16
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-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide (CID 3237244) is 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is CC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1.
What is the InChIKey of 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
The InChIKey is VMZQVGYKTZZPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-8-12-24(13-9-16)11-5-10-22-20(25)15-27-19-14-21(26)23(2)18-7-4-3-6-17(18)19/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3,(H,22,25).
What are the key properties of 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide?
2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide has a molecular weight of 371.48 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(4-methylpiperidin-1-yl)propyl]acetamide is sourced from PubChem (CID 3237244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).