2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide

C25H26ClN7O — CID 155927698

IUPAC2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1
InChIInChI=1S/C25H26ClN7O/c1-18-4-2-3-5-22(18)28-25(34)17-33-16-20(29-30-33)15-31-10-12-32(13-11-31)24-8-9-27-23-14-19(26)6-7-21(23)24/h2-9,14,16H,10-13,15,17H2,1H3,(H,28,34)
InChIKeyNQEZMZHEXVNQFW-UHFFFAOYSA-N
MW475.98 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide

2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 155927698) has the molecular formula C25H26ClN7O and a molecular weight of 475.98 g/mol. Its IUPAC name is 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID155927698
Molecular FormulaC25H26ClN7O
Molecular Weight475.98 g/mol
Exact Mass475.19
IUPAC Name2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1
InChIInChI=1S/C25H26ClN7O/c1-18-4-2-3-5-22(18)28-25(34)17-33-16-20(29-30-33)15-31-10-12-32(13-11-31)24-8-9-27-23-14-19(26)6-7-21(23)24/h2-9,14,16H,10-13,15,17H2,1H3,(H,28,34)
InChIKeyNQEZMZHEXVNQFW-UHFFFAOYSA-N
XLogP3.75
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide with MolForge

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Related Compounds

2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide
CID 155812359
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 8591260
2-[1-[2-(2-methylanilino)-2-oxoethyl]triazol-4-yl]acetic acid
CID 107461798
ethyl 2-[4-(7-chloroquinolin-4-yl)-1,4-diazepan-1-yl]acetate
CID 133346351
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 22198476
4-(4-benzylpiperazin-1-yl)-6-chloroquinoline
CID 43840532
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
N-[2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]ethyl]pentanamide
CID 42704553
N-(4-chloro-2-methylphenyl)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide
CID 8005862
2-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]acetyl]amino]benzamide
CID 22199290

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide (CID 155927698) is 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1.
What is the InChIKey of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is NQEZMZHEXVNQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O/c1-18-4-2-3-5-22(18)28-25(34)17-33-16-20(29-30-33)15-31-10-12-32(13-11-31)24-8-9-27-23-14-19(26)6-7-21(23)24/h2-9,14,16H,10-13,15,17H2,1H3,(H,28,34).
What are the key properties of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide?
2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 475.98 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 155927698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).