4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole

C98H107F9N16O11 — CID 159898481

About 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole

4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole (PubChem CID 159898481) has the molecular formula C98H107F9N16O11 and a molecular weight of 1856.02 g/mol. Its IUPAC name is 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
• PubChem CID: 159898481
• Molecular Formula: C98H107F9N16O11
• Molecular Weight: 1856.02 g/mol
• Exact Mass: 1854.82
• IUPAC Name: 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole
• SMILES: Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCC(F)(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCOC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@@H](C)COC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12
• InChI: InChI=1S/2C25H28F2N4O3.C24H25F3N4O2.C24H26F2N4O3/c2*1-13-9-19-20(10-18(13)22-15(3)30-34-16(22)4)28-11-21-23(19)31(14(2)12-33-25(26)27)24(29-21)17-5-7-32-8-6-17;1-13-10-18-19(11-17(13)21-14(2)30-33-15(21)3)28-12-20-22(18)31(7-6-24(25,26)27)23(29-20)16-4-8-32-9-5-16;1-13-10-18-19(11-17(13)21-14(2)29-33-15(21)3)27-12-20-22(18)30(6-9-32-24(25)26)23(28-20)16-4-7-31-8-5-16/h2*9-11,14,17,25H,5-8,12H2,1-4H3;10-12,16H,4-9H2,1-3H3;10-12,16,24H,4-9H2,1-3H3/t2*14-;;/m10../s1
• InChIKey: NVQPHXXHMOYYNS-XUZVGNKESA-N
• XLogP: 23.03
• TPSA: 291.57 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1856.02
LogP ≤ 5	23.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?

The IUPAC name of 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole (CID 159898481) is 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole.

What is the SMILES notation for 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?

The canonical SMILES for 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCC(F)(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n(CCOC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@@H](C)COC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCOCC3)n([C@H](C)COC(F)F)c12.

What is the InChIKey of 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?

The InChIKey is NVQPHXXHMOYYNS-XUZVGNKESA-N. The full InChI is InChI=1S/2C25H28F2N4O3.C24H25F3N4O2.C24H26F2N4O3/c2*1-13-9-19-20(10-18(13)22-15(3)30-34-16(22)4)28-11-21-23(19)31(14(2)12-33-25(26)27)24(29-21)17-5-7-32-8-6-17;1-13-10-18-19(11-17(13)21-14(2)30-33-15(21)3)28-12-20-22(18)31(7-6-24(25,26)27)23(29-20)16-4-8-32-9-5-16;1-13-10-18-19(11-17(13)21-14(2)29-33-15(21)3)27-12-20-22(18)30(6-9-32-24(25)26)23(28-20)16-4-7-31-8-5-16/h2*9-11,14,17,25H,5-8,12H2,1-4H3;10-12,16H,4-9H2,1-3H3;10-12,16,24H,4-9H2,1-3H3/t2*14-;;/m10../s1.

What are the key properties of 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole?

4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole has a molecular weight of 1856.02 g/mol, XLogP of 23.03, 22 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-(difluoromethoxy)ethyl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-(oxan-4-yl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;3,5-dimethyl-4-[8-methyl-2-(oxan-4-yl)-1-(3,3,3-trifluoropropyl)imidazo[4,5-c]quinolin-7-yl]-1,2-oxazole is sourced from PubChem (CID 159898481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).