2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol

C17H15FN2O — CID 167843526

IUPAC2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol
SMILESCC(CO)c1ccncc1-c1cnc2c(F)cccc2c1
InChIInChI=1S/C17H15FN2O/c1-11(10-21)14-5-6-19-9-15(14)13-7-12-3-2-4-16(18)17(12)20-8-13/h2-9,11,21H,10H2,1H3
InChIKeyHVMGWEINXLXSSH-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.53
Rot. Bonds3

About 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol

2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol (PubChem CID 167843526) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol
PubChem CID167843526
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol
SMILESCC(CO)c1ccncc1-c1cnc2c(F)cccc2c1
InChIInChI=1S/C17H15FN2O/c1-11(10-21)14-5-6-19-9-15(14)13-7-12-3-2-4-16(18)17(12)20-8-13/h2-9,11,21H,10H2,1H3
InChIKeyHVMGWEINXLXSSH-UHFFFAOYSA-N
XLogP3.53
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-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 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol?
The IUPAC name of 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol (CID 167843526) is 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol.
What is the SMILES notation for 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol?
The canonical SMILES for 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol is CC(CO)c1ccncc1-c1cnc2c(F)cccc2c1.
What is the InChIKey of 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol?
The InChIKey is HVMGWEINXLXSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-11(10-21)14-5-6-19-9-15(14)13-7-12-3-2-4-16(18)17(12)20-8-13/h2-9,11,21H,10H2,1H3.
What are the key properties of 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol?
2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol has a molecular weight of 282.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-fluoroquinolin-3-yl)-4-pyridinyl]propan-1-ol is sourced from PubChem (CID 167843526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).