5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol

C15H17BrN2O — CID 678099

IUPAC5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCCC2)cc(Br)c2cccnc12
InChIInChI=1S/C15H17BrN2O/c16-13-9-11(10-18-7-2-1-3-8-18)15(19)14-12(13)5-4-6-17-14/h4-6,9,19H,1-3,7-8,10H2
InChIKeyVNAMCINJFXCOSN-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.69
Rot. Bonds2

About 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol

5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol (PubChem CID 678099) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol
PubChem CID678099
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCCC2)cc(Br)c2cccnc12
InChIInChI=1S/C15H17BrN2O/c16-13-9-11(10-18-7-2-1-3-8-18)15(19)14-12(13)5-4-6-17-14/h4-6,9,19H,1-3,7-8,10H2
InChIKeyVNAMCINJFXCOSN-UHFFFAOYSA-N
XLogP3.69
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol (CID 678099) is 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCCC2)cc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is VNAMCINJFXCOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-13-9-11(10-18-7-2-1-3-8-18)15(19)14-12(13)5-4-6-17-14/h4-6,9,19H,1-3,7-8,10H2.
What are the key properties of 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol?
5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 321.22 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(piperidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 678099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).