5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

C13H16FN3O — CID 68704432

IUPAC5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc2c1CC(N1CC[C@H](F)C1)C(=O)N2
InChIInChI=1S/C13H16FN3O/c14-8-4-5-17(7-8)12-6-9-10(15)2-1-3-11(9)16-13(12)18/h1-3,8,12H,4-7,15H2,(H,16,18)/t8-,12?/m0/s1
InChIKeySUEYJQOWABMPQT-KBPLZSHQSA-N
MW249.29 g/mol
LogP1.18
Rot. Bonds1

About 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 68704432) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID68704432
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1cccc2c1CC(N1CC[C@H](F)C1)C(=O)N2
InChIInChI=1S/C13H16FN3O/c14-8-4-5-17(7-8)12-6-9-10(15)2-1-3-11(9)16-13(12)18/h1-3,8,12H,4-7,15H2,(H,16,18)/t8-,12?/m0/s1
InChIKeySUEYJQOWABMPQT-KBPLZSHQSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 68704432) is 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is Nc1cccc2c1CC(N1CC[C@H](F)C1)C(=O)N2.
What is the InChIKey of 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SUEYJQOWABMPQT-KBPLZSHQSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-8-4-5-17(7-8)12-6-9-10(15)2-1-3-11(9)16-13(12)18/h1-3,8,12H,4-7,15H2,(H,16,18)/t8-,12?/m0/s1.
What are the key properties of 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 249.29 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 68704432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).