4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C128H138F12N20O12 — CID 157101578

About 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 157101578) has the molecular formula C128H138F12N20O12 and a molecular weight of 2376.62 g/mol. Its IUPAC name is 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 157101578
• Molecular Formula: C128H138F12N20O12
• Molecular Weight: 2376.62 g/mol
• Exact Mass: 2375.06
• IUPAC Name: 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccc3)n([C@@H](C)COC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCC(F)(F)CC3)n([C@@H](C)COC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCCCC3)n([C@@H](C)COC(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/C26H28F4N4O2.C26H30F2N4O2.C26H24F2N4O2.2C25H28F2N4O3/c1-13-9-19-20(10-18(13)22-15(3)33-36-16(22)4)31-11-21-23(19)34(14(2)12-35-25(27)28)24(32-21)17-5-7-26(29,30)8-6-17;2*1-14-10-20-21(11-19(14)23-16(3)31-34-17(23)4)29-12-22-24(20)32(15(2)13-33-26(27)28)25(30-22)18-8-6-5-7-9-18;2*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/h9-11,14,17,25H,5-8,12H2,1-4H3;10-12,15,18,26H,5-9,13H2,1-4H3;5-12,15,26H,13H2,1-4H3;2*9-11,14,17,25H,5-8,12H2,1-4H3/t14-;2*15-;2*14-/m00000/s1
• InChIKey: AFVAVHGZQBUHFY-IAWFFKMGSA-N
• XLogP: 32.62
• TPSA: 348.31 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2376.62
LogP ≤ 5	32.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The IUPAC name of 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 157101578) is 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

What is the SMILES notation for 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The canonical SMILES for 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(-c3ccccc3)n([C@@H](C)COC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCC(F)(F)CC3)n([C@@H](C)COC(F)F)c12.Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCCCC3)n([C@@H](C)COC(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-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is AFVAVHGZQBUHFY-IAWFFKMGSA-N. The full InChI is InChI=1S/C26H28F4N4O2.C26H30F2N4O2.C26H24F2N4O2.2C25H28F2N4O3/c1-13-9-19-20(10-18(13)22-15(3)33-36-16(22)4)31-11-21-23(19)34(14(2)12-35-25(27)28)24(32-21)17-5-7-26(29,30)8-6-17;2*1-14-10-20-21(11-19(14)23-16(3)31-34-17(23)4)29-12-22-24(20)32(15(2)13-33-26(27)28)25(30-22)18-8-6-5-7-9-18;2*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/h9-11,14,17,25H,5-8,12H2,1-4H3;10-12,15,18,26H,5-9,13H2,1-4H3;5-12,15,26H,13H2,1-4H3;2*9-11,14,17,25H,5-8,12H2,1-4H3/t14-;2*15-;2*14-/m00000/s1.

What are the key properties of 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 2376.62 g/mol, XLogP of 32.62, 30 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-cyclohexyl-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[2-(4,4-difluorocyclohexyl)-1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;bis(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);4-[1-[(2S)-1-(difluoromethoxy)propan-2-yl]-8-methyl-2-phenylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 157101578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).