4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate

C59H55F9N8O9S3 — CID 157173095

About 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate

4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate (PubChem CID 157173095) has the molecular formula C59H55F9N8O9S3 and a molecular weight of 1287.32 g/mol. Its IUPAC name is 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate.

Molecular Properties

• Compound Name: 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
• PubChem CID: 157173095
• Molecular Formula: C59H55F9N8O9S3
• Molecular Weight: 1287.32 g/mol
• Exact Mass: 1286.31
• IUPAC Name: 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate
• SMILES: CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(OS(=O)(=O)C(F)(F)F)nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C29H27F3N4O3S.C28H28N4O.C2F6O5S2/c1-20(2)17-36-26-23-15-9-10-16-24(23)33-27(25(26)34-28(36)39-40(37,38)29(30,31)32)35(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-20(2)17-32-26-23-15-9-10-16-24(23)29-27(25(26)30-28(32)33)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h3-16,20H,17-19H2,1-2H3;3-16,20H,17-19H2,1-2H3,(H,30,33)
• InChIKey: ANRUVVAIOMBDKF-UHFFFAOYSA-N
• XLogP: 13.12
• TPSA: 208.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 18
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1287.32
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

The IUPAC name of 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate (CID 157173095) is 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate.

What is the SMILES notation for 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

The canonical SMILES for 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate is CC(C)Cn1c(=O)[nH]c2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.CC(C)Cn1c(OS(=O)(=O)C(F)(F)F)nc2c(N(Cc3ccccc3)Cc3ccccc3)nc3ccccc3c21.O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

The InChIKey is ANRUVVAIOMBDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F3N4O3S.C28H28N4O.C2F6O5S2/c1-20(2)17-36-26-23-15-9-10-16-24(23)33-27(25(26)34-28(36)39-40(37,38)29(30,31)32)35(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;1-20(2)17-32-26-23-15-9-10-16-24(23)29-27(25(26)30-28(32)33)31(18-21-11-5-3-6-12-21)19-22-13-7-4-8-14-22;3-1(4,5)14(9,10)13-15(11,12)2(6,7)8/h3-16,20H,17-19H2,1-2H3;3-16,20H,17-19H2,1-2H3,(H,30,33);.

What are the key properties of 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate?

4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate has a molecular weight of 1287.32 g/mol, XLogP of 13.12, 18 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(dibenzylamino)-1-(2-methylpropyl)-3H-imidazo[4,5-c]quinolin-2-one;[4-(dibenzylamino)-1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl] trifluoromethanesulfonate;trifluoromethylsulfonyl trifluoromethanesulfonate is sourced from PubChem (CID 157173095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).