5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one

C16H14FN3O2 — CID 110672749

IUPAC5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3cc4ccc(F)cc4nc32)N1
InChIInChI=1S/C16H14FN3O2/c17-11-2-1-9-7-10-5-6-20(15(10)19-13(9)8-11)16(22)12-3-4-14(21)18-12/h1-2,7-8,12H,3-6H2,(H,18,21)
InChIKeyVSHIUHXOLBLNTI-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.54
Rot. Bonds1

About 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one

5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one (PubChem CID 110672749) has the molecular formula C16H14FN3O2 and a molecular weight of 299.30 g/mol. Its IUPAC name is 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one
PubChem CID110672749
Molecular FormulaC16H14FN3O2
Molecular Weight299.30 g/mol
Exact Mass299.11
IUPAC Name5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CCC(C(=O)N2CCc3cc4ccc(F)cc4nc32)N1
InChIInChI=1S/C16H14FN3O2/c17-11-2-1-9-7-10-5-6-20(15(10)19-13(9)8-11)16(22)12-3-4-14(21)18-12/h1-2,7-8,12H,3-6H2,(H,18,21)
InChIKeyVSHIUHXOLBLNTI-UHFFFAOYSA-N
XLogP1.54
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one (CID 110672749) is 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one is O=C1CCC(C(=O)N2CCc3cc4ccc(F)cc4nc32)N1.
What is the InChIKey of 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one?
The InChIKey is VSHIUHXOLBLNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-11-2-1-9-7-10-5-6-20(15(10)19-13(9)8-11)16(22)12-3-4-14(21)18-12/h1-2,7-8,12H,3-6H2,(H,18,21).
What are the key properties of 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one?
5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one has a molecular weight of 299.30 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-fluoro-2,3-dihydropyrrolo[2,3-b]quinoline-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 110672749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).