1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea

C22H30N6O2 — CID 154013039

About 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea

1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea (PubChem CID 154013039) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea
• PubChem CID: 154013039
• Molecular Formula: C22H30N6O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.24
• IUPAC Name: 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)NC1(Cn2c(CO)nc3c(N)nc4ccccc4c32)CCCCC1
• InChI: InChI=1S/C22H30N6O2/c1-14(2)24-21(30)27-22(10-6-3-7-11-22)13-28-17(12-29)26-18-19(28)15-8-4-5-9-16(15)25-20(18)23/h4-5,8-9,14,29H,3,6-7,10-13H2,1-2H3,(H2,23,25)(H2,24,27,30)
• InChIKey: IQJAGBNMIVQYEN-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 118.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea?

The IUPAC name of 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea (CID 154013039) is 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea is CC(C)NC(=O)NC1(Cn2c(CO)nc3c(N)nc4ccccc4c32)CCCCC1.

What is the InChIKey of 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea?

The InChIKey is IQJAGBNMIVQYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-14(2)24-21(30)27-22(10-6-3-7-11-22)13-28-17(12-29)26-18-19(28)15-8-4-5-9-16(15)25-20(18)23/h4-5,8-9,14,29H,3,6-7,10-13H2,1-2H3,(H2,23,25)(H2,24,27,30).

What are the key properties of 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea?

1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea has a molecular weight of 410.52 g/mol, XLogP of 3.07, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]methyl]cyclohexyl]-3-propan-2-ylurea is sourced from PubChem (CID 154013039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).