[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone

C24H21N5O4 — CID 86298324

About [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone

[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone (PubChem CID 86298324) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone.

Molecular Properties

• Compound Name: [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
• PubChem CID: 86298324
• Molecular Formula: C24H21N5O4
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.16
• IUPAC Name: [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone
• SMILES: COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(=O)c3cccnc3)n(CCO)c12
• InChI: InChI=1S/C24H21N5O4/c1-13-21(14(2)33-28-13)17-9-18-16(10-20(17)32-3)22-19(12-26-18)27-24(29(22)7-8-30)23(31)15-5-4-6-25-11-15/h4-6,9-12,30H,7-8H2,1-3H3
• InChIKey: QRYMZBKIBOVYKQ-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 116.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?

The IUPAC name of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone (CID 86298324) is [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone.

What is the SMILES notation for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?

The canonical SMILES for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone is COc1cc2c(cc1-c1c(C)noc1C)ncc1nc(C(=O)c3cccnc3)n(CCO)c12.

What is the InChIKey of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?

The InChIKey is QRYMZBKIBOVYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-13-21(14(2)33-28-13)17-9-18-16(10-20(17)32-3)22-19(12-26-18)27-24(29(22)7-8-30)23(31)15-5-4-6-25-11-15/h4-6,9-12,30H,7-8H2,1-3H3.

What are the key properties of [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone?

[7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone has a molecular weight of 443.46 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)-8-methoxyimidazo[4,5-c]quinolin-2-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 86298324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).