tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate

C23H24FN3O3 — CID 175852388

About tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate

tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate (PubChem CID 175852388) has the molecular formula C23H24FN3O3 and a molecular weight of 409.46 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate
• PubChem CID: 175852388
• Molecular Formula: C23H24FN3O3
• Molecular Weight: 409.46 g/mol
• Exact Mass: 409.18
• IUPAC Name: tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate
• SMILES: CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2nc(-c3ccncc3)ccc2c1
• InChI: InChI=1S/C23H24FN3O3/c1-23(2,3)30-22(28)26-14-16(13-24)15-29-19-5-7-21-18(12-19)4-6-20(27-21)17-8-10-25-11-9-17/h4-13H,14-15H2,1-3H3,(H,26,28)/b16-13+
• InChIKey: RXXOCDYZVYCMPN-DTQAZKPQSA-N
• XLogP: 5.05
• TPSA: 73.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.46
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate?

The IUPAC name of tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate (CID 175852388) is tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate.

What is the SMILES notation for tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate?

The canonical SMILES for tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate is CC(C)(C)OC(=O)NC/C(=C\F)COc1ccc2nc(-c3ccncc3)ccc2c1.

What is the InChIKey of tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate?

The InChIKey is RXXOCDYZVYCMPN-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H24FN3O3/c1-23(2,3)30-22(28)26-14-16(13-24)15-29-19-5-7-21-18(12-19)4-6-20(27-21)17-8-10-25-11-9-17/h4-13H,14-15H2,1-3H3,(H,26,28)/b16-13+.

What are the key properties of tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate?

tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate has a molecular weight of 409.46 g/mol, XLogP of 5.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(E)-3-fluoro-2-[(2-pyridin-4-ylquinolin-6-yl)oxymethyl]prop-2-enyl]carbamate is sourced from PubChem (CID 175852388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).