1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea

C21H28N6O2 — CID 23549096

About 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea

1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea (PubChem CID 23549096) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea
• PubChem CID: 23549096
• Molecular Formula: C21H28N6O2
• Molecular Weight: 396.50 g/mol
• Exact Mass: 396.23
• IUPAC Name: 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea
• SMILES: C=Cc1ccc2c(c1)nc(N)c1nc(COCC)n(CCNC(=O)NC(C)C)c12
• InChI: InChI=1S/C21H28N6O2/c1-5-14-7-8-15-16(11-14)25-20(22)18-19(15)27(17(26-18)12-29-6-2)10-9-23-21(28)24-13(3)4/h5,7-8,11,13H,1,6,9-10,12H2,2-4H3,(H2,22,25)(H2,23,24,28)
• InChIKey: SDNLJFPDGHRNML-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 107.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.50
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea?

The IUPAC name of 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea (CID 23549096) is 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea is C=Cc1ccc2c(c1)nc(N)c1nc(COCC)n(CCNC(=O)NC(C)C)c12.

What is the InChIKey of 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea?

The InChIKey is SDNLJFPDGHRNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-5-14-7-8-15-16(11-14)25-20(22)18-19(15)27(17(26-18)12-29-6-2)10-9-23-21(28)24-13(3)4/h5,7-8,11,13H,1,6,9-10,12H2,2-4H3,(H2,22,25)(H2,23,24,28).

What are the key properties of 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea?

1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea has a molecular weight of 396.50 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-amino-7-ethenyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-3-propan-2-ylurea is sourced from PubChem (CID 23549096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).