8-methoxy-2-piperazin-1-ylquinoline

C14H17N3O — CID 22636319

IUPAC8-methoxy-2-piperazin-1-ylquinoline
SMILESCOc1cccc2ccc(N3CCNCC3)nc12
InChIInChI=1S/C14H17N3O/c1-18-12-4-2-3-11-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKeyCUULVNAZRYFNIT-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.65
Rot. Bonds2

About 8-methoxy-2-piperazin-1-ylquinoline

8-methoxy-2-piperazin-1-ylquinoline (PubChem CID 22636319) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 8-methoxy-2-piperazin-1-ylquinoline.

Molecular Properties

Compound Name8-methoxy-2-piperazin-1-ylquinoline
PubChem CID22636319
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name8-methoxy-2-piperazin-1-ylquinoline
SMILESCOc1cccc2ccc(N3CCNCC3)nc12
InChIInChI=1S/C14H17N3O/c1-18-12-4-2-3-11-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKeyCUULVNAZRYFNIT-UHFFFAOYSA-N
XLogP1.65
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-piperazin-1-ylquinoline?
The IUPAC name of 8-methoxy-2-piperazin-1-ylquinoline (CID 22636319) is 8-methoxy-2-piperazin-1-ylquinoline.
What is the SMILES notation for 8-methoxy-2-piperazin-1-ylquinoline?
The canonical SMILES for 8-methoxy-2-piperazin-1-ylquinoline is COc1cccc2ccc(N3CCNCC3)nc12.
What is the InChIKey of 8-methoxy-2-piperazin-1-ylquinoline?
The InChIKey is CUULVNAZRYFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-18-12-4-2-3-11-5-6-13(16-14(11)12)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3.
What are the key properties of 8-methoxy-2-piperazin-1-ylquinoline?
8-methoxy-2-piperazin-1-ylquinoline has a molecular weight of 243.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-piperazin-1-ylquinoline is sourced from PubChem (CID 22636319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).