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

C24H24ClN7O — CID 155927347

IUPAC2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1ccccc1
InChIInChI=1S/C24H24ClN7O/c25-18-6-7-21-22(14-18)26-9-8-23(21)31-12-10-30(11-13-31)15-20-16-32(29-28-20)17-24(33)27-19-4-2-1-3-5-19/h1-9,14,16H,10-13,15,17H2,(H,27,33)
InChIKeyQDOYGBFRVDVNGE-UHFFFAOYSA-N
MW461.96 g/mol
LogP3.44
Rot. Bonds6

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

2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide (PubChem CID 155927347) has the molecular formula C24H24ClN7O and a molecular weight of 461.96 g/mol. Its IUPAC name is 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide
PubChem CID155927347
Molecular FormulaC24H24ClN7O
Molecular Weight461.96 g/mol
Exact Mass461.17
IUPAC Name2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide
SMILESO=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1ccccc1
InChIInChI=1S/C24H24ClN7O/c25-18-6-7-21-22(14-18)26-9-8-23(21)31-12-10-30(11-13-31)15-20-16-32(29-28-20)17-24(33)27-19-4-2-1-3-5-19/h1-9,14,16H,10-13,15,17H2,(H,27,33)
InChIKeyQDOYGBFRVDVNGE-UHFFFAOYSA-N
XLogP3.44
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.96
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide (CID 155927347) is 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide is O=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1ccccc1.
What is the InChIKey of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide?
The InChIKey is QDOYGBFRVDVNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN7O/c25-18-6-7-21-22(14-18)26-9-8-23(21)31-12-10-30(11-13-31)15-20-16-32(29-28-20)17-24(33)27-19-4-2-1-3-5-19/h1-9,14,16H,10-13,15,17H2,(H,27,33).
What are the key properties of 2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide?
2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]-N-phenylacetamide has a molecular weight of 461.96 g/mol, XLogP of 3.44, 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-phenylacetamide is sourced from PubChem (CID 155927347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).