8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline

C18H16Cl2N4 — CID 20922966

IUPAC8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline
SMILESClc1cccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1
InChIInChI=1S/C18H16Cl2N4/c19-13-3-1-4-14(11-13)23-7-9-24(10-8-23)17-12-21-22-18-15(17)5-2-6-16(18)20/h1-6,11-12H,7-10H2
InChIKeyDZGXRHIQXADSDH-UHFFFAOYSA-N
MW359.26 g/mol
LogP4.26
Rot. Bonds2

About 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline

8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline (PubChem CID 20922966) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline.

Molecular Properties

Compound Name8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline
PubChem CID20922966
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline
SMILESClc1cccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1
InChIInChI=1S/C18H16Cl2N4/c19-13-3-1-4-14(11-13)23-7-9-24(10-8-23)17-12-21-22-18-15(17)5-2-6-16(18)20/h1-6,11-12H,7-10H2
InChIKeyDZGXRHIQXADSDH-UHFFFAOYSA-N
XLogP4.26
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 54.26
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-chlorophenyl)piperazin-1-yl]cinnoline?
The IUPAC name of 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline (CID 20922966) is 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline.
What is the SMILES notation for 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline?
The canonical SMILES for 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline is Clc1cccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)c1.
What is the InChIKey of 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline?
The InChIKey is DZGXRHIQXADSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c19-13-3-1-4-14(11-13)23-7-9-24(10-8-23)17-12-21-22-18-15(17)5-2-6-16(18)20/h1-6,11-12H,7-10H2.
What are the key properties of 8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline?
8-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]cinnoline has a molecular weight of 359.26 g/mol, XLogP of 4.26, 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-chlorophenyl)piperazin-1-yl]cinnoline is sourced from PubChem (CID 20922966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).