2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid

C32H42N6O5 — CID 67224527

About 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid

2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid (PubChem CID 67224527) has the molecular formula C32H42N6O5 and a molecular weight of 590.73 g/mol. Its IUPAC name is 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid.

Molecular Properties

• Compound Name: 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid
• PubChem CID: 67224527
• Molecular Formula: C32H42N6O5
• Molecular Weight: 590.73 g/mol
• Exact Mass: 590.32
• IUPAC Name: 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid
• SMILES: CCc1cccc(OCC(=O)O)c1CN(CCn1c(CCOC)nc2c(N)nc3ccccc3c21)C(=O)CN(CC)CC
• InChI: InChI=1S/C32H42N6O5/c1-5-22-11-10-14-26(43-21-29(40)41)24(22)19-37(28(39)20-36(6-2)7-3)16-17-38-27(15-18-42-4)35-30-31(38)23-12-8-9-13-25(23)34-32(30)33/h8-14H,5-7,15-21H2,1-4H3,(H2,33,34)(H,40,41)
• InChIKey: VFOHSIDLRXKMAM-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 136.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	590.73
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid?

The IUPAC name of 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid (CID 67224527) is 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid.

What is the SMILES notation for 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid?

The canonical SMILES for 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid is CCc1cccc(OCC(=O)O)c1CN(CCn1c(CCOC)nc2c(N)nc3ccccc3c21)C(=O)CN(CC)CC.

What is the InChIKey of 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid?

The InChIKey is VFOHSIDLRXKMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O5/c1-5-22-11-10-14-26(43-21-29(40)41)24(22)19-37(28(39)20-36(6-2)7-3)16-17-38-27(15-18-42-4)35-30-31(38)23-12-8-9-13-25(23)34-32(30)33/h8-14H,5-7,15-21H2,1-4H3,(H2,33,34)(H,40,41).

What are the key properties of 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid?

2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid has a molecular weight of 590.73 g/mol, XLogP of 3.75, 16 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl-[2-(diethylamino)acetyl]amino]methyl]-3-ethylphenoxy]acetic acid is sourced from PubChem (CID 67224527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).