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

C23H27F2N5O2 — CID 134169079

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

1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine (PubChem CID 134169079) has the molecular formula C23H27F2N5O2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

• Compound Name: 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine
• PubChem CID: 134169079
• Molecular Formula: C23H27F2N5O2
• Molecular Weight: 443.50 g/mol
• Exact Mass: 443.21
• IUPAC Name: 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine
• SMILES: Cc1cc2c(cc1-c1c(C)noc1C)ncc1nc(CN(C)C)n([C@H](C)COC(F)F)c12
• InChI: InChI=1S/C23H27F2N5O2/c1-12-7-17-18(8-16(12)21-14(3)28-32-15(21)4)26-9-19-22(17)30(13(2)11-31-23(24)25)20(27-19)10-29(5)6/h7-9,13,23H,10-11H2,1-6H3/t13-/m1/s1
• InChIKey: BWZYHQRCVPSCFG-CYBMUJFWSA-N
• XLogP: 5.03
• TPSA: 69.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.50
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine (CID 134169079) is 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine.

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

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

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

The InChIKey is BWZYHQRCVPSCFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H27F2N5O2/c1-12-7-17-18(8-16(12)21-14(3)28-32-15(21)4)26-9-19-22(17)30(13(2)11-31-23(24)25)20(27-19)10-29(5)6/h7-9,13,23H,10-11H2,1-6H3/t13-/m1/s1.

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

1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 443.50 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[(2R)-1-(difluoromethoxy)propan-2-yl]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methylimidazo[4,5-c]quinolin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134169079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).