(3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol

C13H12ClFN2O — CID 134714079

IUPAC(3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ccc3cc(Cl)ccc3n2)C[C@H]1F
InChIInChI=1S/C13H12ClFN2O/c14-9-2-3-11-8(5-9)1-4-13(16-11)17-6-10(15)12(18)7-17/h1-5,10,12,18H,6-7H2/t10-,12-/m1/s1
InChIKeyGOUYGLGRYJXBJF-ZYHUDNBSSA-N
MW266.70 g/mol
LogP2.41
Rot. Bonds1

About (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol

(3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol (PubChem CID 134714079) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol
PubChem CID134714079
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name(3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol
SMILESO[C@@H]1CN(c2ccc3cc(Cl)ccc3n2)C[C@H]1F
InChIInChI=1S/C13H12ClFN2O/c14-9-2-3-11-8(5-9)1-4-13(16-11)17-6-10(15)12(18)7-17/h1-5,10,12,18H,6-7H2/t10-,12-/m1/s1
InChIKeyGOUYGLGRYJXBJF-ZYHUDNBSSA-N
XLogP2.41
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-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 (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol (CID 134714079) is (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol is O[C@@H]1CN(c2ccc3cc(Cl)ccc3n2)C[C@H]1F.
What is the InChIKey of (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
The InChIKey is GOUYGLGRYJXBJF-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c14-9-2-3-11-8(5-9)1-4-13(16-11)17-6-10(15)12(18)7-17/h1-5,10,12,18H,6-7H2/t10-,12-/m1/s1.
What are the key properties of (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol?
(3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol has a molecular weight of 266.70 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6-chloroquinolin-2-yl)-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 134714079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).