1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C33H40F2N8O4S2 — CID 161180886

About 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 161180886) has the molecular formula C33H40F2N8O4S2 and a molecular weight of 714.87 g/mol. Its IUPAC name is 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

• Compound Name: 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
• PubChem CID: 161180886
• Molecular Formula: C33H40F2N8O4S2
• Molecular Weight: 714.87 g/mol
• Exact Mass: 714.26
• IUPAC Name: 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
• SMILES: CCS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O.CS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O
• InChI: InChI=1S/C17H21FN4O2S.C16H19FN4O2S/c1-4-25(24)8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19;1-16(2,22)8-21-12(7-24(3)23)20-13-14(21)10-5-4-9(17)6-11(10)19-15(13)18/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20);4-6,22H,7-8H2,1-3H3,(H2,18,19)
• InChIKey: USLADNMBQWABOD-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 188.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.87
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The IUPAC name of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 161180886) is 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

What is the SMILES notation for 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The canonical SMILES for 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CCS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O.CS(=O)Cc1nc2c(N)nc3cc(F)ccc3c2n1CC(C)(C)O.

What is the InChIKey of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

The InChIKey is USLADNMBQWABOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S.C16H19FN4O2S/c1-4-25(24)8-13-21-14-15(22(13)9-17(2,3)23)11-6-5-10(18)7-12(11)20-16(14)19;1-16(2,22)8-21-12(7-24(3)23)20-13-14(21)10-5-4-9(17)6-11(10)19-15(13)18/h5-7,23H,4,8-9H2,1-3H3,(H2,19,20);4-6,22H,7-8H2,1-3H3,(H2,18,19).

What are the key properties of 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?

1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 714.87 g/mol, XLogP of 4.30, 9 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-[4-amino-7-fluoro-2-(methylsulfinylmethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 161180886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).