7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline

C15H18ClN3 — CID 69237633

IUPAC7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
SMILESCc1cc2c(C)cc(N3CCNCC3)nc2cc1Cl
InChIInChI=1S/C15H18ClN3/c1-10-8-15(19-5-3-17-4-6-19)18-14-9-13(16)11(2)7-12(10)14/h7-9,17H,3-6H2,1-2H3
InChIKeyRIEMUFDWLWRWTA-UHFFFAOYSA-N
MW275.78 g/mol
LogP2.91
Rot. Bonds1

About 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline

7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline (PubChem CID 69237633) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
PubChem CID69237633
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline
SMILESCc1cc2c(C)cc(N3CCNCC3)nc2cc1Cl
InChIInChI=1S/C15H18ClN3/c1-10-8-15(19-5-3-17-4-6-19)18-14-9-13(16)11(2)7-12(10)14/h7-9,17H,3-6H2,1-2H3
InChIKeyRIEMUFDWLWRWTA-UHFFFAOYSA-N
XLogP2.91
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline?
The IUPAC name of 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline (CID 69237633) is 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline.
What is the SMILES notation for 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline?
The canonical SMILES for 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline is Cc1cc2c(C)cc(N3CCNCC3)nc2cc1Cl.
What is the InChIKey of 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline?
The InChIKey is RIEMUFDWLWRWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-10-8-15(19-5-3-17-4-6-19)18-14-9-13(16)11(2)7-12(10)14/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline?
7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline has a molecular weight of 275.78 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,6-dimethyl-2-piperazin-1-ylquinoline is sourced from PubChem (CID 69237633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).