2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide

C18H23IN6O2 — CID 146320064

About 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide

2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide (PubChem CID 146320064) has the molecular formula C18H23IN6O2 and a molecular weight of 482.33 g/mol. Its IUPAC name is 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide.

Molecular Properties

• Compound Name: 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
• PubChem CID: 146320064
• Molecular Formula: C18H23IN6O2
• Molecular Weight: 482.33 g/mol
• Exact Mass: 482.09
• IUPAC Name: 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide
• SMILES: CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)C(C)(N)I
• InChI: InChI=1S/C18H23IN6O2/c1-3-27-10-13-24-14-15(11-6-4-5-7-12(11)23-16(14)20)25(13)9-8-22-17(26)18(2,19)21/h4-7H,3,8-10,21H2,1-2H3,(H2,20,23)(H,22,26)
• InChIKey: LHJAKMLIHSXMLA-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 121.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.33
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide (CID 146320064) is 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide.

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

The canonical SMILES for 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide is CCOCc1nc2c(N)nc3ccccc3c2n1CCNC(=O)C(C)(N)I.

What is the InChIKey of 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide?

The InChIKey is LHJAKMLIHSXMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23IN6O2/c1-3-27-10-13-24-14-15(11-6-4-5-7-12(11)23-16(14)20)25(13)9-8-22-17(26)18(2,19)21/h4-7H,3,8-10,21H2,1-2H3,(H2,20,23)(H,22,26).

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

2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide has a molecular weight of 482.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-iodopropanamide is sourced from PubChem (CID 146320064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).