3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine

C19H24BFN2O2 — CID 170815127

About 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine

3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine (PubChem CID 170815127) has the molecular formula C19H24BFN2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine.

Molecular Properties

• Compound Name: 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
• PubChem CID: 170815127
• Molecular Formula: C19H24BFN2O2
• Molecular Weight: 342.22 g/mol
• Exact Mass: 342.19
• IUPAC Name: 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
• SMILES: CNCC(=Cc1cc2cccnc2cc1F)B1OC(C)(C)C(C)(C)O1
• InChI: InChI=1S/C19H24BFN2O2/c1-18(2)19(3,4)25-20(24-18)15(12-22-5)10-14-9-13-7-6-8-23-17(13)11-16(14)21/h6-11,22H,12H2,1-5H3
• InChIKey: KYFOHHDLLRLUQR-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 43.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.22
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?

The IUPAC name of 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine (CID 170815127) is 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine.

What is the SMILES notation for 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?

The canonical SMILES for 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine is CNCC(=Cc1cc2cccnc2cc1F)B1OC(C)(C)C(C)(C)O1.

What is the InChIKey of 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?

The InChIKey is KYFOHHDLLRLUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BFN2O2/c1-18(2)19(3,4)25-20(24-18)15(12-22-5)10-14-9-13-7-6-8-23-17(13)11-16(14)21/h6-11,22H,12H2,1-5H3.

What are the key properties of 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine?

3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine has a molecular weight of 342.22 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(7-fluoroquinolin-6-yl)-N-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 170815127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).