8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline

C18H15Cl3N4 — CID 156552875

IUPAC8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline
SMILESClc1cc(Cl)cc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1
InChIInChI=1S/C18H15Cl3N4/c19-12-8-13(20)10-14(9-12)24-4-6-25(7-5-24)17-11-22-23-18-15(17)2-1-3-16(18)21/h1-3,8-11H,4-7H2
InChIKeyVVPWYTDUFXWUPY-UHFFFAOYSA-N
MW393.71 g/mol
LogP4.92
Rot. Bonds2

About 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline

8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline (PubChem CID 156552875) has the molecular formula C18H15Cl3N4 and a molecular weight of 393.71 g/mol. Its IUPAC name is 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline.

Molecular Properties

Compound Name8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline
PubChem CID156552875
Molecular FormulaC18H15Cl3N4
Molecular Weight393.71 g/mol
Exact Mass392.04
IUPAC Name8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline
SMILESClc1cc(Cl)cc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1
InChIInChI=1S/C18H15Cl3N4/c19-12-8-13(20)10-14(9-12)24-4-6-25(7-5-24)17-11-22-23-18-15(17)2-1-3-16(18)21/h1-3,8-11H,4-7H2
InChIKeyVVPWYTDUFXWUPY-UHFFFAOYSA-N
XLogP4.92
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.71
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline?
The IUPAC name of 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline (CID 156552875) is 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline.
What is the SMILES notation for 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline?
The canonical SMILES for 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline is Clc1cc(Cl)cc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1.
What is the InChIKey of 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline?
The InChIKey is VVPWYTDUFXWUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl3N4/c19-12-8-13(20)10-14(9-12)24-4-6-25(7-5-24)17-11-22-23-18-15(17)2-1-3-16(18)21/h1-3,8-11H,4-7H2.
What are the key properties of 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline?
8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline has a molecular weight of 393.71 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[4-(3,5-dichlorophenyl)piperazin-1-yl]cinnoline is sourced from PubChem (CID 156552875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).