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

C14H15BrN2O — CID 677675

IUPAC5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Br)c2cccnc12
InChIInChI=1S/C14H15BrN2O/c15-12-8-10(9-17-6-1-2-7-17)14(18)13-11(12)4-3-5-16-13/h3-5,8,18H,1-2,6-7,9H2
InChIKeyFPVYUXXOQJWEAY-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.30
Rot. Bonds2

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

5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (PubChem CID 677675) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.

Molecular Properties

Compound Name5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
PubChem CID677675
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol
SMILESOc1c(CN2CCCC2)cc(Br)c2cccnc12
InChIInChI=1S/C14H15BrN2O/c15-12-8-10(9-17-6-1-2-7-17)14(18)13-11(12)4-3-5-16-13/h3-5,8,18H,1-2,6-7,9H2
InChIKeyFPVYUXXOQJWEAY-UHFFFAOYSA-N
XLogP3.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The IUPAC name of 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol (CID 677675) is 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol.
What is the SMILES notation for 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The canonical SMILES for 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is Oc1c(CN2CCCC2)cc(Br)c2cccnc12.
What is the InChIKey of 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
The InChIKey is FPVYUXXOQJWEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c15-12-8-10(9-17-6-1-2-7-17)14(18)13-11(12)4-3-5-16-13/h3-5,8,18H,1-2,6-7,9H2.
What are the key properties of 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol?
5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol has a molecular weight of 307.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol is sourced from PubChem (CID 677675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).