8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline

C19H27N3O — CID 96709857

IUPAC8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline
SMILESCC(C)COc1ccc(CCN2CCNCC2)c2cccnc12
InChIInChI=1S/C19H27N3O/c1-15(2)14-23-18-6-5-16(17-4-3-8-21-19(17)18)7-11-22-12-9-20-10-13-22/h3-6,8,15,20H,7,9-14H2,1-2H3
InChIKeyXZWJFWBTLYGTBR-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.72
Rot. Bonds6

About 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline

8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline (PubChem CID 96709857) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline.

Molecular Properties

Compound Name8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline
PubChem CID96709857
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline
SMILESCC(C)COc1ccc(CCN2CCNCC2)c2cccnc12
InChIInChI=1S/C19H27N3O/c1-15(2)14-23-18-6-5-16(17-4-3-8-21-19(17)18)7-11-22-12-9-20-10-13-22/h3-6,8,15,20H,7,9-14H2,1-2H3
InChIKeyXZWJFWBTLYGTBR-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline?
The IUPAC name of 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline (CID 96709857) is 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline.
What is the SMILES notation for 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline?
The canonical SMILES for 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline is CC(C)COc1ccc(CCN2CCNCC2)c2cccnc12.
What is the InChIKey of 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline?
The InChIKey is XZWJFWBTLYGTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(2)14-23-18-6-5-16(17-4-3-8-21-19(17)18)7-11-22-12-9-20-10-13-22/h3-6,8,15,20H,7,9-14H2,1-2H3.
What are the key properties of 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline?
8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline has a molecular weight of 313.45 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropoxy)-5-(2-piperazin-1-ylethyl)quinoline is sourced from PubChem (CID 96709857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).