(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

C21H20FN3O3 — CID 71495236

IUPAC(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ncc(-c2cc(O[C@H](C)[C@@H]3CNC(=O)C3)c3cccnc3c2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-12(14-9-20(26)24-10-14)28-19-8-13(7-18-16(19)4-3-5-23-18)15-6-17(22)21(27-2)25-11-15/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,26)/t12-,14+/m1/s1
InChIKeyZGWWRHSYPFORMJ-OCCSQVGLSA-N
MW381.41 g/mol
LogP3.35
Rot. Bonds5

About (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one

(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 71495236) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
PubChem CID71495236
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
SMILESCOc1ncc(-c2cc(O[C@H](C)[C@@H]3CNC(=O)C3)c3cccnc3c2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-12(14-9-20(26)24-10-14)28-19-8-13(7-18-16(19)4-3-5-23-18)15-6-17(22)21(27-2)25-11-15/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,26)/t12-,14+/m1/s1
InChIKeyZGWWRHSYPFORMJ-OCCSQVGLSA-N
XLogP3.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one 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 (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one (CID 71495236) is (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is COc1ncc(-c2cc(O[C@H](C)[C@@H]3CNC(=O)C3)c3cccnc3c2)cc1F.
What is the InChIKey of (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is ZGWWRHSYPFORMJ-OCCSQVGLSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-12(14-9-20(26)24-10-14)28-19-8-13(7-18-16(19)4-3-5-23-18)15-6-17(22)21(27-2)25-11-15/h3-8,11-12,14H,9-10H2,1-2H3,(H,24,26)/t12-,14+/m1/s1.
What are the key properties of (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one?
(4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 381.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1R)-1-[7-(5-fluoro-6-methoxy-3-pyridinyl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 71495236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).