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

C24H23ClFN7O — CID 155812359

IUPAC2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C24H23ClFN7O/c25-17-1-6-21-22(13-17)27-8-7-23(21)32-11-9-31(10-12-32)14-20-15-33(30-29-20)16-24(34)28-19-4-2-18(26)3-5-19/h1-8,13,15H,9-12,14,16H2,(H,28,34)
InChIKeyGFWTYZYYVSYNLZ-UHFFFAOYSA-N
MW479.95 g/mol
LogP3.58
Rot. Bonds6

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

2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 155812359) has the molecular formula C24H23ClFN7O and a molecular weight of 479.95 g/mol. Its IUPAC name is 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide
PubChem CID155812359
Molecular FormulaC24H23ClFN7O
Molecular Weight479.95 g/mol
Exact Mass479.16
IUPAC Name2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1ccc(F)cc1
InChIInChI=1S/C24H23ClFN7O/c25-17-1-6-21-22(13-17)27-8-7-23(21)32-11-9-31(10-12-32)14-20-15-33(30-29-20)16-24(34)28-19-4-2-18(26)3-5-19/h1-8,13,15H,9-12,14,16H2,(H,28,34)
InChIKeyGFWTYZYYVSYNLZ-UHFFFAOYSA-N
XLogP3.58
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.95
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(2-methylphenyl)acetamide
CID 155927698
4-(4-benzylpiperazin-1-yl)-7-chloroquinoline
CID 9114059
2-[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 22195442
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
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
7-chloro-4-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]quinoline;sulfuric acid
CID 53353641
1,9-bis[4,7-bis(7-chloroquinolin-4-yl)-1,4,7-triazonan-1-yl]nonane-1,9-dione
CID 10748618
1-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propan-2-ol
CID 171975814
2-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-2-oxoacetamide
CID 46227121
4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
2-(4-benzylpiperazin-1-yl)-N-(4-fluorophenyl)acetamide
CID 847262
1-[[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methyl]-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
CID 123174375

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide (CID 155812359) is 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide is O=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide?
The InChIKey is GFWTYZYYVSYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN7O/c25-17-1-6-21-22(13-17)27-8-7-23(21)32-11-9-31(10-12-32)14-20-15-33(30-29-20)16-24(34)28-19-4-2-18(26)3-5-19/h1-8,13,15H,9-12,14,16H2,(H,28,34).
What are the key properties of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide?
2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 479.95 g/mol, XLogP of 3.58, 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-(4-fluorophenyl)acetamide is sourced from PubChem (CID 155812359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).