8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one

C25H24N6O2 — CID 123652703

About 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one

8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (PubChem CID 123652703) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

• Compound Name: 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
• PubChem CID: 123652703
• Molecular Formula: C25H24N6O2
• Molecular Weight: 440.51 g/mol
• Exact Mass: 440.20
• IUPAC Name: 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one
• SMILES: CCOc1ccc(-c2nc3ccc(-c4ccc(N(C)C)nc4)cc3c3[nH]c(=O)n(C)c23)cn1
• InChI: InChI=1S/C25H24N6O2/c1-5-33-21-11-8-17(14-27-21)22-24-23(29-25(32)31(24)4)18-12-15(6-9-19(18)28-22)16-7-10-20(26-13-16)30(2)3/h6-14H,5H2,1-4H3,(H,29,32)
• InChIKey: NCQDRPLGGJUEAA-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.51
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

The IUPAC name of 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one (CID 123652703) is 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one.

What is the SMILES notation for 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

The canonical SMILES for 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is CCOc1ccc(-c2nc3ccc(-c4ccc(N(C)C)nc4)cc3c3[nH]c(=O)n(C)c23)cn1.

What is the InChIKey of 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

The InChIKey is NCQDRPLGGJUEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-5-33-21-11-8-17(14-27-21)22-24-23(29-25(32)31(24)4)18-12-15(6-9-19(18)28-22)16-7-10-20(26-13-16)30(2)3/h6-14H,5H2,1-4H3,(H,29,32).

What are the key properties of 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one?

8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 440.51 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[6-(dimethylamino)-3-pyridinyl]-4-(6-ethoxy-3-pyridinyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 123652703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).