5,8-dimethyl-4-piperazin-1-ylquinoline

C15H19N3 — CID 43840516

IUPAC5,8-dimethyl-4-piperazin-1-ylquinoline
SMILESCc1ccc(C)c2c(N3CCNCC3)ccnc12
InChIInChI=1S/C15H19N3/c1-11-3-4-12(2)15-14(11)13(5-6-17-15)18-9-7-16-8-10-18/h3-6,16H,7-10H2,1-2H3
InChIKeyPEAUNAOMQRDQKE-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.26
Rot. Bonds1

About 5,8-dimethyl-4-piperazin-1-ylquinoline

5,8-dimethyl-4-piperazin-1-ylquinoline (PubChem CID 43840516) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5,8-dimethyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name5,8-dimethyl-4-piperazin-1-ylquinoline
PubChem CID43840516
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name5,8-dimethyl-4-piperazin-1-ylquinoline
SMILESCc1ccc(C)c2c(N3CCNCC3)ccnc12
InChIInChI=1S/C15H19N3/c1-11-3-4-12(2)15-14(11)13(5-6-17-15)18-9-7-16-8-10-18/h3-6,16H,7-10H2,1-2H3
InChIKeyPEAUNAOMQRDQKE-UHFFFAOYSA-N
XLogP2.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-4-piperazin-1-ylquinoline?
The IUPAC name of 5,8-dimethyl-4-piperazin-1-ylquinoline (CID 43840516) is 5,8-dimethyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 5,8-dimethyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 5,8-dimethyl-4-piperazin-1-ylquinoline is Cc1ccc(C)c2c(N3CCNCC3)ccnc12.
What is the InChIKey of 5,8-dimethyl-4-piperazin-1-ylquinoline?
The InChIKey is PEAUNAOMQRDQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11-3-4-12(2)15-14(11)13(5-6-17-15)18-9-7-16-8-10-18/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 5,8-dimethyl-4-piperazin-1-ylquinoline?
5,8-dimethyl-4-piperazin-1-ylquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 43840516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).