4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine

C96H108F12N20O12 — CID 161073586

About 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine

4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine (PubChem CID 161073586) has the molecular formula C96H108F12N20O12 and a molecular weight of 1962.02 g/mol. Its IUPAC name is 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine.

Molecular Properties

• Compound Name: 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine
• PubChem CID: 161073586
• Molecular Formula: C96H108F12N20O12
• Molecular Weight: 1962.02 g/mol
• Exact Mass: 1960.83
• IUPAC Name: 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine
• SMILES: CCN(CC)Cc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)COC(F)F.CNCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)COC(F)F.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CC(F)(F)C3)n([C@H](C)COC(F)F)c12.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCC(F)(F)C3)n([C@H](C)COC(F)F)c12
• InChI: InChI=1S/C25H27F4N5O3.C25H31F2N5O3.C24H25F4N5O3.C22H25F2N5O3/c1-13(11-36-24(26)27)34-21(10-33-6-5-25(28,29)12-33)31-19-9-30-18-7-17(22-14(2)32-37-15(22)3)20(35-4)8-16(18)23(19)34;1-7-31(8-2)12-22-29-20-11-28-19-9-18(23-15(4)30-35-16(23)5)21(33-6)10-17(19)24(20)32(22)14(3)13-34-25(26)27;1-12(9-35-23(25)26)33-20(8-32-10-24(27,28)11-32)30-18-7-29-17-5-16(21-13(2)31-36-14(21)3)19(34-4)6-15(17)22(18)33;1-11(10-31-22(23)24)29-19(9-25-4)27-17-8-26-16-6-15(20-12(2)28-32-13(20)3)18(30-5)7-14(16)21(17)29/h7-9,13,24H,5-6,10-12H2,1-4H3;9-11,14,25H,7-8,12-13H2,1-6H3;5-7,12,23H,8-11H2,1-4H3;6-8,11,22,25H,9-10H2,1-5H3/t13-;14-;12-;11-/m1111/s1
• InChIKey: UEYYALUJLNDUSP-KRMKMDFMSA-N
• XLogP: 20.51
• TPSA: 322.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 32
• Rotatable Bonds: 34
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1962.02
LogP ≤ 5	20.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?

The IUPAC name of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine (CID 161073586) is 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine.

What is the SMILES notation for 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?

The canonical SMILES for 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine is CCN(CC)Cc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)COC(F)F.CNCc1nc2cnc3cc(-c4c(C)noc4C)c(OC)cc3c2n1[C@H](C)COC(F)F.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CC(F)(F)C3)n([C@H](C)COC(F)F)c12.COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN3CCC(F)(F)C3)n([C@H](C)COC(F)F)c12.

What is the InChIKey of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?

The InChIKey is UEYYALUJLNDUSP-KRMKMDFMSA-N. The full InChI is InChI=1S/C25H27F4N5O3.C25H31F2N5O3.C24H25F4N5O3.C22H25F2N5O3/c1-13(11-36-24(26)27)34-21(10-33-6-5-25(28,29)12-33)31-19-9-30-18-7-17(22-14(2)32-37-15(22)3)20(35-4)8-16(18)23(19)34;1-7-31(8-2)12-22-29-20-11-28-19-9-18(23-15(4)30-35-16(23)5)21(33-6)10-17(19)24(20)32(22)14(3)13-34-25(26)27;1-12(9-35-23(25)26)33-20(8-32-10-24(27,28)11-32)30-18-7-29-17-5-16(21-13(2)31-36-14(21)3)19(34-4)6-15(17)22(18)33;1-11(10-31-22(23)24)29-19(9-25-4)27-17-8-26-16-6-15(20-12(2)28-32-13(20)3)18(30-5)7-14(16)21(17)29/h7-9,13,24H,5-6,10-12H2,1-4H3;9-11,14,25H,7-8,12-13H2,1-6H3;5-7,12,23H,8-11H2,1-4H3;6-8,11,22,25H,9-10H2,1-5H3/t13-;14-;12-;11-/m1111/s1.

What are the key properties of 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine?

4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine has a molecular weight of 1962.02 g/mol, XLogP of 20.51, 34 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[(3,3-difluoroazetidin-1-yl)methyl]-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;4-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-2-[(3,3-difluoropyrrolidin-1-yl)methyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole;N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine;1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 161073586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).