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

C24H25ClN6O2 — CID 44587668

IUPAC2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
SMILESCc1nnc2n1-c1ccc(NC(=O)CN3CCN(C(=O)c4cccc(Cl)c4)CC3)cc1CC2
InChIInChI=1S/C24H25ClN6O2/c1-16-27-28-22-8-5-17-14-20(6-7-21(17)31(16)22)26-23(32)15-29-9-11-30(12-10-29)24(33)18-3-2-4-19(25)13-18/h2-4,6-7,13-14H,5,8-12,15H2,1H3,(H,26,32)
InChIKeyLMHXYYWKRMVMDH-UHFFFAOYSA-N
MW464.96 g/mol
LogP2.72
Rot. Bonds4

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

2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide (PubChem CID 44587668) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
PubChem CID44587668
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide
SMILESCc1nnc2n1-c1ccc(NC(=O)CN3CCN(C(=O)c4cccc(Cl)c4)CC3)cc1CC2
InChIInChI=1S/C24H25ClN6O2/c1-16-27-28-22-8-5-17-14-20(6-7-21(17)31(16)22)26-23(32)15-29-9-11-30(12-10-29)24(33)18-3-2-4-19(25)13-18/h2-4,6-7,13-14H,5,8-12,15H2,1H3,(H,26,32)
InChIKeyLMHXYYWKRMVMDH-UHFFFAOYSA-N
XLogP2.72
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The IUPAC name of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide (CID 44587668) is 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The canonical SMILES for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide is Cc1nnc2n1-c1ccc(NC(=O)CN3CCN(C(=O)c4cccc(Cl)c4)CC3)cc1CC2.
What is the InChIKey of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
The InChIKey is LMHXYYWKRMVMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-16-27-28-22-8-5-17-14-20(6-7-21(17)31(16)22)26-23(32)15-29-9-11-30(12-10-29)24(33)18-3-2-4-19(25)13-18/h2-4,6-7,13-14H,5,8-12,15H2,1H3,(H,26,32).
What are the key properties of 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide?
2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide has a molecular weight of 464.96 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorobenzoyl)piperazin-1-yl]-N-(1-methyl-4,5-dihydro-[1,2,4]triazolo[4,3-a]quinolin-7-yl)acetamide is sourced from PubChem (CID 44587668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).