tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate

C24H24FN5O3 — CID 67595696

About tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate

tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (PubChem CID 67595696) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
• PubChem CID: 67595696
• Molecular Formula: C24H24FN5O3
• Molecular Weight: 449.49 g/mol
• Exact Mass: 449.19
• IUPAC Name: tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate
• SMILES: Cc1nnc(-c2c(-c3ccccn3)c(C(C)NC(=O)OC(C)(C)C)nc3ccc(F)cc23)o1
• InChI: InChI=1S/C24H24FN5O3/c1-13(27-23(31)33-24(3,4)5)21-20(18-8-6-7-11-26-18)19(22-30-29-14(2)32-22)16-12-15(25)9-10-17(16)28-21/h6-13H,1-5H3,(H,27,31)
• InChIKey: PCQHUTDJTHYMGH-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 103.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	449.49
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate (CID 67595696) is tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is Cc1nnc(-c2c(-c3ccccn3)c(C(C)NC(=O)OC(C)(C)C)nc3ccc(F)cc23)o1.

What is the InChIKey of tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?

The InChIKey is PCQHUTDJTHYMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-13(27-23(31)33-24(3,4)5)21-20(18-8-6-7-11-26-18)19(22-30-29-14(2)32-22)16-12-15(25)9-10-17(16)28-21/h6-13H,1-5H3,(H,27,31).

What are the key properties of tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate?

tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate has a molecular weight of 449.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-fluoro-4-(5-methyl-1,3,4-oxadiazol-2-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate is sourced from PubChem (CID 67595696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).