(5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one

C16H18FN3O2 — CID 141217198

IUPAC(5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](CCCNCc2c(F)ccc3ncccc23)O1
InChIInChI=1S/C16H18FN3O2/c17-14-5-6-15-12(4-2-8-19-15)13(14)10-18-7-1-3-11-9-20-16(21)22-11/h2,4-6,8,11,18H,1,3,7,9-10H2,(H,20,21)/t11-/m0/s1
InChIKeyYIZPUPGWGUPWLA-NSHDSACASA-N
MW303.34 g/mol
LogP2.35
Rot. Bonds6

About (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one

(5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one (PubChem CID 141217198) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one
PubChem CID141217198
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name(5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one
SMILESO=C1NC[C@H](CCCNCc2c(F)ccc3ncccc23)O1
InChIInChI=1S/C16H18FN3O2/c17-14-5-6-15-12(4-2-8-19-15)13(14)10-18-7-1-3-11-9-20-16(21)22-11/h2,4-6,8,11,18H,1,3,7,9-10H2,(H,20,21)/t11-/m0/s1
InChIKeyYIZPUPGWGUPWLA-NSHDSACASA-N
XLogP2.35
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one (CID 141217198) is (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one is O=C1NC[C@H](CCCNCc2c(F)ccc3ncccc23)O1.
What is the InChIKey of (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
The InChIKey is YIZPUPGWGUPWLA-NSHDSACASA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-14-5-6-15-12(4-2-8-19-15)13(14)10-18-7-1-3-11-9-20-16(21)22-11/h2,4-6,8,11,18H,1,3,7,9-10H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one?
(5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one has a molecular weight of 303.34 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(6-fluoroquinolin-5-yl)methylamino]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 141217198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).