N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

C21H23FN4 — CID 128997444

About N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine

N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (PubChem CID 128997444) has the molecular formula C21H23FN4 and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

• Compound Name: N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
• PubChem CID: 128997444
• Molecular Formula: C21H23FN4
• Molecular Weight: 350.44 g/mol
• Exact Mass: 350.19
• IUPAC Name: N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
• SMILES: CN1CC[C@@H](CNCc2cc(F)cc3cccnc23)[C@@H]1c1cccnc1
• InChI: InChI=1S/C21H23FN4/c1-26-9-6-17(21(26)16-5-2-7-23-12-16)13-24-14-18-11-19(22)10-15-4-3-8-25-20(15)18/h2-5,7-8,10-12,17,21,24H,6,9,13-14H2,1H3/t17-,21-/m0/s1
• InChIKey: NBSBCCODIMQXDO-UWJYYQICSA-N
• XLogP: 3.55
• TPSA: 41.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.44
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

The IUPAC name of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine (CID 128997444) is N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine.

What is the SMILES notation for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

The canonical SMILES for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is CN1CC[C@@H](CNCc2cc(F)cc3cccnc23)[C@@H]1c1cccnc1.

What is the InChIKey of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

The InChIKey is NBSBCCODIMQXDO-UWJYYQICSA-N. The full InChI is InChI=1S/C21H23FN4/c1-26-9-6-17(21(26)16-5-2-7-23-12-16)13-24-14-18-11-19(22)10-15-4-3-8-25-20(15)18/h2-5,7-8,10-12,17,21,24H,6,9,13-14H2,1H3/t17-,21-/m0/s1.

What are the key properties of N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine?

N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine has a molecular weight of 350.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-fluoroquinolin-8-yl)methyl]-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 128997444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).