2-methoxy-6-methyl-4-piperazin-1-ylquinoline

C15H19N3O — CID 67319434

IUPAC2-methoxy-6-methyl-4-piperazin-1-ylquinoline
SMILESCOc1cc(N2CCNCC2)c2cc(C)ccc2n1
InChIInChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)14(10-15(17-13)19-2)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyQQTLRELISJZOPG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.96
Rot. Bonds2

About 2-methoxy-6-methyl-4-piperazin-1-ylquinoline

2-methoxy-6-methyl-4-piperazin-1-ylquinoline (PubChem CID 67319434) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methoxy-6-methyl-4-piperazin-1-ylquinoline.

Molecular Properties

Compound Name2-methoxy-6-methyl-4-piperazin-1-ylquinoline
PubChem CID67319434
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-methoxy-6-methyl-4-piperazin-1-ylquinoline
SMILESCOc1cc(N2CCNCC2)c2cc(C)ccc2n1
InChIInChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)14(10-15(17-13)19-2)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3
InChIKeyQQTLRELISJZOPG-UHFFFAOYSA-N
XLogP1.96
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-4-piperazin-1-ylquinoline?
The IUPAC name of 2-methoxy-6-methyl-4-piperazin-1-ylquinoline (CID 67319434) is 2-methoxy-6-methyl-4-piperazin-1-ylquinoline.
What is the SMILES notation for 2-methoxy-6-methyl-4-piperazin-1-ylquinoline?
The canonical SMILES for 2-methoxy-6-methyl-4-piperazin-1-ylquinoline is COc1cc(N2CCNCC2)c2cc(C)ccc2n1.
What is the InChIKey of 2-methoxy-6-methyl-4-piperazin-1-ylquinoline?
The InChIKey is QQTLRELISJZOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-3-4-13-12(9-11)14(10-15(17-13)19-2)18-7-5-16-6-8-18/h3-4,9-10,16H,5-8H2,1-2H3.
What are the key properties of 2-methoxy-6-methyl-4-piperazin-1-ylquinoline?
2-methoxy-6-methyl-4-piperazin-1-ylquinoline has a molecular weight of 257.34 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-4-piperazin-1-ylquinoline is sourced from PubChem (CID 67319434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).