2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide

C21H27N5O3 — CID 163665582

About 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide

2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide (PubChem CID 163665582) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
• PubChem CID: 163665582
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide
• SMILES: CCN(C)C(=O)COCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C
• InChI: InChI=1S/C21H27N5O3/c1-5-25(4)18(28)12-29-11-17(27)24-21-19-20(26(13-22-19)10-14(2)3)15-8-6-7-9-16(15)23-21/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,24,27)
• InChIKey: IYDNIZQKVRWZNA-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?

The IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide (CID 163665582) is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide.

What is the SMILES notation for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?

The canonical SMILES for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide is CCN(C)C(=O)COCC(=O)Nc1nc2ccccc2c2c1ncn2CC(C)C.

What is the InChIKey of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?

The InChIKey is IYDNIZQKVRWZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-5-25(4)18(28)12-29-11-17(27)24-21-19-20(26(13-22-19)10-14(2)3)15-8-6-7-9-16(15)23-21/h6-9,13-14H,5,10-12H2,1-4H3,(H,23,24,27).

What are the key properties of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide?

2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-N-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]acetamide is sourced from PubChem (CID 163665582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).