1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one

C20H20N8O2 — CID 134325522

About 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one

1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one (PubChem CID 134325522) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
• PubChem CID: 134325522
• Molecular Formula: C20H20N8O2
• Molecular Weight: 404.43 g/mol
• Exact Mass: 404.17
• IUPAC Name: 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one
• SMILES: COc1cc2ncc3c(c2cc1-c1cn(C)nn1)n(-c1cn(C)nc1C)c(=O)n3C
• InChI: InChI=1S/C20H20N8O2/c1-11-17(10-25(2)23-11)28-19-13-6-12(15-9-26(3)24-22-15)18(30-5)7-14(13)21-8-16(19)27(4)20(28)29/h6-10H,1-5H3
• InChIKey: DMDKAVWLRXGDFB-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 97.58 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.43
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one (CID 134325522) is 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one is COc1cc2ncc3c(c2cc1-c1cn(C)nn1)n(-c1cn(C)nc1C)c(=O)n3C.

What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one?

The InChIKey is DMDKAVWLRXGDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-11-17(10-25(2)23-11)28-19-13-6-12(15-9-26(3)24-22-15)18(30-5)7-14(13)21-8-16(19)27(4)20(28)29/h6-10H,1-5H3.

What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one?

1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one has a molecular weight of 404.43 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-dimethylpyrazol-4-yl)-7-methoxy-3-methyl-8-(1-methyltriazol-4-yl)imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134325522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).