4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one

C21H27N5O3 — CID 57447015

About 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one (PubChem CID 57447015) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one.

Molecular Properties

• Compound Name: 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
• PubChem CID: 57447015
• Molecular Formula: C21H27N5O3
• Molecular Weight: 397.48 g/mol
• Exact Mass: 397.21
• IUPAC Name: 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one
• SMILES: CCOCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)N1CCOCC1
• InChI: InChI=1S/C21H27N5O3/c1-2-28-14-17-24-19-20(15-6-3-4-7-16(15)23-21(19)22)26(17)9-5-8-18(27)25-10-12-29-13-11-25/h3-4,6-7H,2,5,8-14H2,1H3,(H2,22,23)
• InChIKey: DRSOUIZZPUILEQ-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 95.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.48
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one?

The IUPAC name of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one (CID 57447015) is 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one.

What is the SMILES notation for 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one?

The canonical SMILES for 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one is CCOCc1nc2c(N)nc3ccccc3c2n1CCCC(=O)N1CCOCC1.

What is the InChIKey of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one?

The InChIKey is DRSOUIZZPUILEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-2-28-14-17-24-19-20(15-6-3-4-7-16(15)23-21(19)22)26(17)9-5-8-18(27)25-10-12-29-13-11-25/h3-4,6-7H,2,5,8-14H2,1H3,(H2,22,23).

What are the key properties of 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one?

4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one has a molecular weight of 397.48 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 57447015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).