1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol

C23H26F2N4O3 — CID 175954924

About 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol

1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol (PubChem CID 175954924) has the molecular formula C23H26F2N4O3 and a molecular weight of 444.48 g/mol. Its IUPAC name is 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol.

Molecular Properties

• Compound Name: 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol
• PubChem CID: 175954924
• Molecular Formula: C23H26F2N4O3
• Molecular Weight: 444.48 g/mol
• Exact Mass: 444.20
• IUPAC Name: 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol
• SMILES: CC(O)NCc1ccc2c(c1)CCCN2c1noc(-c2c(F)cc(OC(C)C)cc2F)n1
• InChI: InChI=1S/C23H26F2N4O3/c1-13(2)31-17-10-18(24)21(19(25)11-17)22-27-23(28-32-22)29-8-4-5-16-9-15(6-7-20(16)29)12-26-14(3)30/h6-7,9-11,13-14,26,30H,4-5,8,12H2,1-3H3
• InChIKey: ZLGKEYYIDZFJCJ-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 83.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.48
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol?

The IUPAC name of 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol (CID 175954924) is 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol.

What is the SMILES notation for 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol?

The canonical SMILES for 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol is CC(O)NCc1ccc2c(c1)CCCN2c1noc(-c2c(F)cc(OC(C)C)cc2F)n1.

What is the InChIKey of 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol?

The InChIKey is ZLGKEYYIDZFJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O3/c1-13(2)31-17-10-18(24)21(19(25)11-17)22-27-23(28-32-22)29-8-4-5-16-9-15(6-7-20(16)29)12-26-14(3)30/h6-7,9-11,13-14,26,30H,4-5,8,12H2,1-3H3.

What are the key properties of 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol?

1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol has a molecular weight of 444.48 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[1-[5-(2,6-difluoro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2H-quinolin-6-yl]methylamino]ethanol is sourced from PubChem (CID 175954924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).