N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide

C24H23Cl2N7O — CID 155927942

IUPACN-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1cccc(Cl)c1
InChIInChI=1S/C24H23Cl2N7O/c25-17-2-1-3-19(12-17)28-24(34)16-33-15-20(29-30-33)14-31-8-10-32(11-9-31)23-6-7-27-22-13-18(26)4-5-21(22)23/h1-7,12-13,15H,8-11,14,16H2,(H,28,34)
InChIKeyIXJRKJCJVZOAOY-UHFFFAOYSA-N
MW496.40 g/mol
LogP4.09
Rot. Bonds6

About N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide

N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide (PubChem CID 155927942) has the molecular formula C24H23Cl2N7O and a molecular weight of 496.40 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide
PubChem CID155927942
Molecular FormulaC24H23Cl2N7O
Molecular Weight496.40 g/mol
Exact Mass495.13
IUPAC NameN-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1cccc(Cl)c1
InChIInChI=1S/C24H23Cl2N7O/c25-17-2-1-3-19(12-17)28-24(34)16-33-15-20(29-30-33)14-31-8-10-32(11-9-31)23-6-7-27-22-13-18(26)4-5-21(22)23/h1-7,12-13,15H,8-11,14,16H2,(H,28,34)
InChIKeyIXJRKJCJVZOAOY-UHFFFAOYSA-N
XLogP4.09
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide (CID 155927942) is N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide is O=C(Cn1cc(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)nn1)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide?
The InChIKey is IXJRKJCJVZOAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O/c25-17-2-1-3-19(12-17)28-24(34)16-33-15-20(29-30-33)14-31-8-10-32(11-9-31)23-6-7-27-22-13-18(26)4-5-21(22)23/h1-7,12-13,15H,8-11,14,16H2,(H,28,34).
What are the key properties of N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide has a molecular weight of 496.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[4-[[4-(7-chloroquinolin-4-yl)piperazin-1-yl]methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 155927942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).