3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol

C19H23FN2O2 — CID 128979327

IUPAC3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESCC1(O)CCOCC1C1CCCN1c1ccnc2cc(F)ccc12
InChIInChI=1S/C19H23FN2O2/c1-19(23)7-10-24-12-15(19)18-3-2-9-22(18)17-6-8-21-16-11-13(20)4-5-14(16)17/h4-6,8,11,15,18,23H,2-3,7,9-10,12H2,1H3
InChIKeyGEKXACIWTRHTCU-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.13
Rot. Bonds2

About 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol

3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol (PubChem CID 128979327) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol.

Molecular Properties

Compound Name3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
PubChem CID128979327
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol
SMILESCC1(O)CCOCC1C1CCCN1c1ccnc2cc(F)ccc12
InChIInChI=1S/C19H23FN2O2/c1-19(23)7-10-24-12-15(19)18-3-2-9-22(18)17-6-8-21-16-11-13(20)4-5-14(16)17/h4-6,8,11,15,18,23H,2-3,7,9-10,12H2,1H3
InChIKeyGEKXACIWTRHTCU-UHFFFAOYSA-N
XLogP3.13
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-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 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The IUPAC name of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol (CID 128979327) is 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol.
What is the SMILES notation for 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The canonical SMILES for 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol is CC1(O)CCOCC1C1CCCN1c1ccnc2cc(F)ccc12.
What is the InChIKey of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
The InChIKey is GEKXACIWTRHTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-19(23)7-10-24-12-15(19)18-3-2-9-22(18)17-6-8-21-16-11-13(20)4-5-14(16)17/h4-6,8,11,15,18,23H,2-3,7,9-10,12H2,1H3.
What are the key properties of 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol?
3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol has a molecular weight of 330.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-fluoroquinolin-4-yl)pyrrolidin-2-yl]-4-methyloxan-4-ol is sourced from PubChem (CID 128979327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).