2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide

C23H25ClN6O2 — CID 70690546

IUPAC2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)CCc1n[nH]c(=O)n1-2
InChIInChI=1S/C23H25ClN6O2/c24-19-4-2-1-3-17(19)14-28-9-11-29(12-10-28)15-22(31)25-18-6-7-20-16(13-18)5-8-21-26-27-23(32)30(20)21/h1-4,6-7,13H,5,8-12,14-15H2,(H,25,31)(H,27,32)
InChIKeyMDIRUOHYKMINIG-UHFFFAOYSA-N
MW452.95 g/mol
LogP2.07
Rot. Bonds5

About 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide

2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide (PubChem CID 70690546) has the molecular formula C23H25ClN6O2 and a molecular weight of 452.95 g/mol. Its IUPAC name is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
PubChem CID70690546
Molecular FormulaC23H25ClN6O2
Molecular Weight452.95 g/mol
Exact Mass452.17
IUPAC Name2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
SMILESO=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)CCc1n[nH]c(=O)n1-2
InChIInChI=1S/C23H25ClN6O2/c24-19-4-2-1-3-17(19)14-28-9-11-29(12-10-28)15-22(31)25-18-6-7-20-16(13-18)5-8-21-26-27-23(32)30(20)21/h1-4,6-7,13H,5,8-12,14-15H2,(H,25,31)(H,27,32)
InChIKeyMDIRUOHYKMINIG-UHFFFAOYSA-N
XLogP2.07
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide with MolForge

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Related Compounds

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CID 70690547
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
CID 50900556
2-(4-acetylpiperazin-1-yl)-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
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N-[3-chloro-4-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]phenyl]-2-(2-chlorophenoxy)acetamide
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CID 30662699
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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The IUPAC name of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide (CID 70690546) is 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide.
What is the SMILES notation for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The canonical SMILES for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide is O=C(CN1CCN(Cc2ccccc2Cl)CC1)Nc1ccc2c(c1)CCc1n[nH]c(=O)n1-2.
What is the InChIKey of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The InChIKey is MDIRUOHYKMINIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O2/c24-19-4-2-1-3-17(19)14-28-9-11-29(12-10-28)15-22(31)25-18-6-7-20-16(13-18)5-8-21-26-27-23(32)30(20)21/h1-4,6-7,13H,5,8-12,14-15H2,(H,25,31)(H,27,32).
What are the key properties of 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide has a molecular weight of 452.95 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-(1-oxo-4,5-dihydro-2H-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide is sourced from PubChem (CID 70690546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).