4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole

C26H28F4N4O2 — CID 134169061

About 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-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-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 134169061) has the molecular formula C26H28F4N4O2 and a molecular weight of 504.53 g/mol. Its IUPAC name is 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
• PubChem CID: 134169061
• Molecular Formula: C26H28F4N4O2
• Molecular Weight: 504.53 g/mol
• Exact Mass: 504.21
• IUPAC Name: 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
• SMILES: Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C3CCC(F)(F)CC3)n([C@H](C)COC(F)F)c12
• InChI: InChI=1S/C26H28F4N4O2/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/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m1/s1
• InChIKey: ODZNQNIBVGXHNQ-CQSZACIVSA-N
• XLogP: 7.26
• TPSA: 65.97 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.53
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole (CID 134169061) is 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole.

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

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

What is the InChIKey of 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole?

The InChIKey is ODZNQNIBVGXHNQ-CQSZACIVSA-N. The full InChI is InChI=1S/C26H28F4N4O2/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/h9-11,14,17,25H,5-8,12H2,1-4H3/t14-/m1/s1.

What are the key properties of 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-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-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 504.53 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(4,4-difluorocyclohexyl)-1-[(2R)-1-(difluoromethoxy)propan-2-yl]-8-methylimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 134169061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).