2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C21H25N5O4 — CID 126468288

IUPAC2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOc1ccc2c(c1)cc(C)c1nn(CC(=O)NCCCN3CCCC3=O)c(=O)n12
InChIInChI=1S/C21H25N5O4/c1-14-11-15-12-16(30-2)6-7-17(15)26-20(14)23-25(21(26)29)13-18(27)22-8-4-10-24-9-3-5-19(24)28/h6-7,11-12H,3-5,8-10,13H2,1-2H3,(H,22,27)
InChIKeyJGOFXROCHRPAAC-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.09
Rot. Bonds7

About 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 126468288) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID126468288
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Name2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOc1ccc2c(c1)cc(C)c1nn(CC(=O)NCCCN3CCCC3=O)c(=O)n12
InChIInChI=1S/C21H25N5O4/c1-14-11-15-12-16(30-2)6-7-17(15)26-20(14)23-25(21(26)29)13-18(27)22-8-4-10-24-9-3-5-19(24)28/h6-7,11-12H,3-5,8-10,13H2,1-2H3,(H,22,27)
InChIKeyJGOFXROCHRPAAC-UHFFFAOYSA-N
XLogP1.09
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 126468288) is 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is COc1ccc2c(c1)cc(C)c1nn(CC(=O)NCCCN3CCCC3=O)c(=O)n12.
What is the InChIKey of 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is JGOFXROCHRPAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-14-11-15-12-16(30-2)6-7-17(15)26-20(14)23-25(21(26)29)13-18(27)22-8-4-10-24-9-3-5-19(24)28/h6-7,11-12H,3-5,8-10,13H2,1-2H3,(H,22,27).
What are the key properties of 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 126468288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).