5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

C14H15FN2O2 — CID 110744007

IUPAC5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCc3cccc(F)c32)N1
InChIInChI=1S/C14H15FN2O2/c15-10-5-1-3-9-4-2-8-17(13(9)10)14(19)11-6-7-12(18)16-11/h1,3,5,11H,2,4,6-8H2,(H,16,18)
InChIKeySAEJEGANXAJNCA-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.38
Rot. Bonds1

About 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one

5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (PubChem CID 110744007) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
PubChem CID110744007
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCCc3cccc(F)c32)N1
InChIInChI=1S/C14H15FN2O2/c15-10-5-1-3-9-4-2-8-17(13(9)10)14(19)11-6-7-12(18)16-11/h1,3,5,11H,2,4,6-8H2,(H,16,18)
InChIKeySAEJEGANXAJNCA-UHFFFAOYSA-N
XLogP1.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one (CID 110744007) is 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is O=C1CCC(C(=O)N2CCCc3cccc(F)c32)N1.
What is the InChIKey of 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
The InChIKey is SAEJEGANXAJNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-10-5-1-3-9-4-2-8-17(13(9)10)14(19)11-6-7-12(18)16-11/h1,3,5,11H,2,4,6-8H2,(H,16,18).
What are the key properties of 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one?
5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one has a molecular weight of 262.28 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-3,4-dihydro-2H-quinoline-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110744007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).