N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine

C25H31F2N5O2 — CID 134169081

About N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine

N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine (PubChem CID 134169081) has the molecular formula C25H31F2N5O2 and a molecular weight of 471.55 g/mol. Its IUPAC name is N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine.

Molecular Properties

• Compound Name: N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine
• PubChem CID: 134169081
• Molecular Formula: C25H31F2N5O2
• Molecular Weight: 471.55 g/mol
• Exact Mass: 471.24
• IUPAC Name: N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine
• SMILES: CCN(CC)Cc1nc2cnc3cc(-c4c(C)noc4C)c(C)cc3c2n1[C@H](C)COC(F)F
• InChI: InChI=1S/C25H31F2N5O2/c1-7-31(8-2)12-22-29-21-11-28-20-10-18(23-16(5)30-34-17(23)6)14(3)9-19(20)24(21)32(22)15(4)13-33-25(26)27/h9-11,15,25H,7-8,12-13H2,1-6H3/t15-/m1/s1
• InChIKey: JOHZLWOUTDUIGC-OAHLLOKOSA-N
• XLogP: 5.81
• TPSA: 69.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.55
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine (CID 134169081) is N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine.

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

The canonical SMILES for N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine is CCN(CC)Cc1nc2cnc3cc(-c4c(C)noc4C)c(C)cc3c2n1[C@H](C)COC(F)F.

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

The InChIKey is JOHZLWOUTDUIGC-OAHLLOKOSA-N. The full InChI is InChI=1S/C25H31F2N5O2/c1-7-31(8-2)12-22-29-21-11-28-20-10-18(23-16(5)30-34-17(23)6)14(3)9-19(20)24(21)32(22)15(4)13-33-25(26)27/h9-11,15,25H,7-8,12-13H2,1-6H3/t15-/m1/s1.

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

N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine has a molecular weight of 471.55 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]methyl]-N-ethylethanamine is sourced from PubChem (CID 134169081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).