2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol

C19H23FN2O — CID 175769883

IUPAC2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol
SMILESOC1C(F)CCC1CCc1ccc2ccc(N3CCC3)nc2c1
InChIInChI=1S/C19H23FN2O/c20-16-8-6-15(19(16)23)5-3-13-2-4-14-7-9-18(21-17(14)12-13)22-10-1-11-22/h2,4,7,9,12,15-16,19,23H,1,3,5-6,8,10-11H2
InChIKeyWJEJNRGFMANJMI-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.49
Rot. Bonds4

About 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol

2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol (PubChem CID 175769883) has the molecular formula C19H23FN2O and a molecular weight of 314.40 g/mol. Its IUPAC name is 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol
PubChem CID175769883
Molecular FormulaC19H23FN2O
Molecular Weight314.40 g/mol
Exact Mass314.18
IUPAC Name2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol
SMILESOC1C(F)CCC1CCc1ccc2ccc(N3CCC3)nc2c1
InChIInChI=1S/C19H23FN2O/c20-16-8-6-15(19(16)23)5-3-13-2-4-14-7-9-18(21-17(14)12-13)22-10-1-11-22/h2,4,7,9,12,15-16,19,23H,1,3,5-6,8,10-11H2
InChIKeyWJEJNRGFMANJMI-UHFFFAOYSA-N
XLogP3.49
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-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-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol?
The IUPAC name of 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol (CID 175769883) is 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol.
What is the SMILES notation for 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol?
The canonical SMILES for 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol is OC1C(F)CCC1CCc1ccc2ccc(N3CCC3)nc2c1.
What is the InChIKey of 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol?
The InChIKey is WJEJNRGFMANJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O/c20-16-8-6-15(19(16)23)5-3-13-2-4-14-7-9-18(21-17(14)12-13)22-10-1-11-22/h2,4,7,9,12,15-16,19,23H,1,3,5-6,8,10-11H2.
What are the key properties of 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol?
2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol has a molecular weight of 314.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(azetidin-1-yl)quinolin-7-yl]ethyl]-5-fluorocyclopentan-1-ol is sourced from PubChem (CID 175769883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).