7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

C21H22N4O4 — CID 164623489

About 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 164623489) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
• PubChem CID: 164623489
• Molecular Formula: C21H22N4O4
• Molecular Weight: 394.43 g/mol
• Exact Mass: 394.16
• IUPAC Name: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C3CCOCC3)c12
• InChI: InChI=1S/C21H22N4O4/c1-11-19(12(2)29-24-11)15-8-16-14(9-18(15)27-3)20-17(10-22-16)23-21(26)25(20)13-4-6-28-7-5-13/h8-10,13H,4-7H2,1-3H3,(H,23,26)
• InChIKey: PQAUJRDEKLLVHH-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 95.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.43
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 164623489) is 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is COc1cc2c(cc1-c1c(C)noc1C)ncc1[nH]c(=O)n(C3CCOCC3)c12.

What is the InChIKey of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?

The InChIKey is PQAUJRDEKLLVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-11-19(12(2)29-24-11)15-8-16-14(9-18(15)27-3)20-17(10-22-16)23-21(26)25(20)13-4-6-28-7-5-13/h8-10,13H,4-7H2,1-3H3,(H,23,26).

What are the key properties of 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one?

7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 394.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dimethyl-1,2-oxazol-4-yl)-8-methoxy-1-(oxan-4-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 164623489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).