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

C18H15Cl2FN4 — CID 156552874

IUPAC8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline
SMILESFc1ccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)cc1Cl
InChIInChI=1S/C18H15Cl2FN4/c19-14-3-1-2-13-17(11-22-23-18(13)14)25-8-6-24(7-9-25)12-4-5-16(21)15(20)10-12/h1-5,10-11H,6-9H2
InChIKeyNXSGXBFIHFCZMY-UHFFFAOYSA-N
MW377.25 g/mol
LogP4.40
Rot. Bonds2

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

8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline (PubChem CID 156552874) has the molecular formula C18H15Cl2FN4 and a molecular weight of 377.25 g/mol. Its IUPAC name is 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline.

Molecular Properties

Compound Name8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline
PubChem CID156552874
Molecular FormulaC18H15Cl2FN4
Molecular Weight377.25 g/mol
Exact Mass376.07
IUPAC Name8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline
SMILESFc1ccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)cc1Cl
InChIInChI=1S/C18H15Cl2FN4/c19-14-3-1-2-13-17(11-22-23-18(13)14)25-8-6-24(7-9-25)12-4-5-16(21)15(20)10-12/h1-5,10-11H,6-9H2
InChIKeyNXSGXBFIHFCZMY-UHFFFAOYSA-N
XLogP4.40
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.25
LogP ≤ 54.40
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-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline?
The IUPAC name of 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline (CID 156552874) is 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline.
What is the SMILES notation for 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline?
The canonical SMILES for 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline is Fc1ccc(N2CCN(c3cnnc4c(Cl)cccc34)CC2)cc1Cl.
What is the InChIKey of 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline?
The InChIKey is NXSGXBFIHFCZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2FN4/c19-14-3-1-2-13-17(11-22-23-18(13)14)25-8-6-24(7-9-25)12-4-5-16(21)15(20)10-12/h1-5,10-11H,6-9H2.
What are the key properties of 8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline?
8-chloro-4-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline has a molecular weight of 377.25 g/mol, XLogP of 4.40, 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-chloro-4-fluorophenyl)piperazin-1-yl]cinnoline is sourced from PubChem (CID 156552874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).