(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol

C18H22FN3O2 — CID 30722570

IUPAC(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccc3cccc(F)c3n2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H22FN3O2/c19-15-3-1-2-13-4-5-14(20-18(13)15)10-21-11-16(17(23)12-21)22-6-8-24-9-7-22/h1-5,16-17,23H,6-12H2/t16-,17-/m0/s1
InChIKeyVZTBCCRYZMZMML-IRXDYDNUSA-N
MW331.39 g/mol
LogP1.25
Rot. Bonds3

About (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol

(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol (PubChem CID 30722570) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
PubChem CID30722570
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2ccc3cccc(F)c3n2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C18H22FN3O2/c19-15-3-1-2-13-4-5-14(20-18(13)15)10-21-11-16(17(23)12-21)22-6-8-24-9-7-22/h1-5,16-17,23H,6-12H2/t16-,17-/m0/s1
InChIKeyVZTBCCRYZMZMML-IRXDYDNUSA-N
XLogP1.25
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-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 (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol (CID 30722570) is (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol is O[C@H]1CN(Cc2ccc3cccc(F)c3n2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
The InChIKey is VZTBCCRYZMZMML-IRXDYDNUSA-N. The full InChI is InChI=1S/C18H22FN3O2/c19-15-3-1-2-13-4-5-14(20-18(13)15)10-21-11-16(17(23)12-21)22-6-8-24-9-7-22/h1-5,16-17,23H,6-12H2/t16-,17-/m0/s1.
What are the key properties of (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol?
(3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol has a molecular weight of 331.39 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[(8-fluoroquinolin-2-yl)methyl]-4-morpholin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 30722570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).