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

C13H16FN3O — CID 68710207

IUPAC6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc2c(c1)CC(N1CC[C@H](F)C1)C(=O)N2
InChIInChI=1S/C13H16FN3O/c14-9-3-4-17(7-9)12-6-8-5-10(15)1-2-11(8)16-13(12)18/h1-2,5,9,12H,3-4,6-7,15H2,(H,16,18)/t9-,12?/m0/s1
InChIKeyIUZVHLKDSJJFKE-QHGLUPRGSA-N
MW249.29 g/mol
LogP1.18
Rot. Bonds1

About 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one

6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 68710207) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID68710207
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one
SMILESNc1ccc2c(c1)CC(N1CC[C@H](F)C1)C(=O)N2
InChIInChI=1S/C13H16FN3O/c14-9-3-4-17(7-9)12-6-8-5-10(15)1-2-11(8)16-13(12)18/h1-2,5,9,12H,3-4,6-7,15H2,(H,16,18)/t9-,12?/m0/s1
InChIKeyIUZVHLKDSJJFKE-QHGLUPRGSA-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'}

Analyze 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one (CID 68710207) is 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is Nc1ccc2c(c1)CC(N1CC[C@H](F)C1)C(=O)N2.
What is the InChIKey of 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IUZVHLKDSJJFKE-QHGLUPRGSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-9-3-4-17(7-9)12-6-8-5-10(15)1-2-11(8)16-13(12)18/h1-2,5,9,12H,3-4,6-7,15H2,(H,16,18)/t9-,12?/m0/s1.
What are the key properties of 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one?
6-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 6-amino-3-[(3S)-3-fluoropyrrolidin-1-yl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 68710207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).