8-chloro-4-(4-methylpiperazin-1-yl)cinnoline

C13H15ClN4 — CID 20922963

IUPAC8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
SMILESCN1CCN(c2cnnc3c(Cl)cccc23)CC1
InChIInChI=1S/C13H15ClN4/c1-17-5-7-18(8-6-17)12-9-15-16-13-10(12)3-2-4-11(13)14/h2-4,9H,5-8H2,1H3
InChIKeyZTBKJIJZHQOIAE-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.04
Rot. Bonds1

About 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline

8-chloro-4-(4-methylpiperazin-1-yl)cinnoline (PubChem CID 20922963) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline.

Molecular Properties

Compound Name8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
PubChem CID20922963
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name8-chloro-4-(4-methylpiperazin-1-yl)cinnoline
SMILESCN1CCN(c2cnnc3c(Cl)cccc23)CC1
InChIInChI=1S/C13H15ClN4/c1-17-5-7-18(8-6-17)12-9-15-16-13-10(12)3-2-4-11(13)14/h2-4,9H,5-8H2,1H3
InChIKeyZTBKJIJZHQOIAE-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.04
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-methylpiperazin-1-yl)cinnoline?
The IUPAC name of 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline (CID 20922963) is 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline.
What is the SMILES notation for 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline?
The canonical SMILES for 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline is CN1CCN(c2cnnc3c(Cl)cccc23)CC1.
What is the InChIKey of 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline?
The InChIKey is ZTBKJIJZHQOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-17-5-7-18(8-6-17)12-9-15-16-13-10(12)3-2-4-11(13)14/h2-4,9H,5-8H2,1H3.
What are the key properties of 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline?
8-chloro-4-(4-methylpiperazin-1-yl)cinnoline has a molecular weight of 262.74 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-methylpiperazin-1-yl)cinnoline is sourced from PubChem (CID 20922963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).