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

C43H40F2N10O4 — CID 161450425

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

tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine (PubChem CID 161450425) has the molecular formula C43H40F2N10O4 and a molecular weight of 798.86 g/mol. Its IUPAC name is tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine.

Molecular Properties

• Compound Name: tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine
• PubChem CID: 161450425
• Molecular Formula: C43H40F2N10O4
• Molecular Weight: 798.86 g/mol
• Exact Mass: 798.32
• IUPAC Name: tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine
• SMILES: Cc1noc(-c2c(-c3ccccn3)c(C(C)N)nc3ccc(F)cc23)n1.Cc1noc(-c2c(-c3ccccn3)c(C(C)NC(=O)OC(C)(C)C)nc3ccc(F)cc23)n1
• InChI: InChI=1S/C24H24FN5O3.C19H16FN5O/c1-13(27-23(31)32-24(3,4)5)21-20(18-8-6-7-11-26-18)19(22-28-14(2)30-33-22)16-12-15(25)9-10-17(16)29-21;1-10(21)18-17(15-5-3-4-8-22-15)16(19-23-11(2)25-26-19)13-9-12(20)6-7-14(13)24-18/h6-13H,1-5H3,(H,27,31);3-10H,21H2,1-2H3
• InChIKey: WALOLGOLTNCGFV-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 193.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	798.86
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine (CID 161450425) is tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine.

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

The canonical SMILES for tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine is Cc1noc(-c2c(-c3ccccn3)c(C(C)N)nc3ccc(F)cc23)n1.Cc1noc(-c2c(-c3ccccn3)c(C(C)NC(=O)OC(C)(C)C)nc3ccc(F)cc23)n1.

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

The InChIKey is WALOLGOLTNCGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3.C19H16FN5O/c1-13(27-23(31)32-24(3,4)5)21-20(18-8-6-7-11-26-18)19(22-28-14(2)30-33-22)16-12-15(25)9-10-17(16)29-21;1-10(21)18-17(15-5-3-4-8-22-15)16(19-23-11(2)25-26-19)13-9-12(20)6-7-14(13)24-18/h6-13H,1-5H3,(H,27,31);3-10H,21H2,1-2H3.

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

tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine has a molecular weight of 798.86 g/mol, XLogP of 9.19, 7 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethyl]carbamate;1-[6-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)-3-pyridin-2-ylquinolin-2-yl]ethanamine is sourced from PubChem (CID 161450425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).