1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione

C14H11FN2O2 — CID 97185355

IUPAC1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C14H11FN2O2/c15-11-6-9-2-1-5-16-14(9)10(7-11)8-17-12(18)3-4-13(17)19/h1-2,5-7H,3-4,8H2
InChIKeyYUMVBNYAXHIEMX-UHFFFAOYSA-N
MW258.25 g/mol
LogP2.02
Rot. Bonds2

About 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione

1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 97185355) has the molecular formula C14H11FN2O2 and a molecular weight of 258.25 g/mol. Its IUPAC name is 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
PubChem CID97185355
Molecular FormulaC14H11FN2O2
Molecular Weight258.25 g/mol
Exact Mass258.08
IUPAC Name1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1Cc1cc(F)cc2cccnc12
InChIInChI=1S/C14H11FN2O2/c15-11-6-9-2-1-5-16-14(9)10(7-11)8-17-12(18)3-4-13(17)19/h1-2,5-7H,3-4,8H2
InChIKeyYUMVBNYAXHIEMX-UHFFFAOYSA-N
XLogP2.02
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione (CID 97185355) is 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1Cc1cc(F)cc2cccnc12.
What is the InChIKey of 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione?
The InChIKey is YUMVBNYAXHIEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2/c15-11-6-9-2-1-5-16-14(9)10(7-11)8-17-12(18)3-4-13(17)19/h1-2,5-7H,3-4,8H2.
What are the key properties of 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione?
1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 258.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoroquinolin-8-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 97185355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).