2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide

About 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide

2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide (PubChem CID 138719996) has the molecular formula C24H36N6O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide.

Molecular Properties

Compound Name	2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide
PubChem CID	138719996
Molecular Formula	C24H36N6O3
Molecular Weight	456.59 g/mol
Exact Mass	456.28
IUPAC Name	2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide
SMILES	CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)C(N)C(C)C
InChI	InChI=1S/C24H36N6O3/c1-6-32-13-18-29-20-21(16-9-7-8-10-17(16)28-22(20)26)30(18)14-24(4,5)33-12-11-27-23(31)19(25)15(2)3/h7-10,15,19H,6,11-14,25H2,1-5H3,(H2,26,28)(H,27,31)
InChIKey	MSMPFUMUWIQIOP-UHFFFAOYSA-N
XLogP	2.60
TPSA	130.31 Å²
H-Bond Donors	3
H-Bond Acceptors	8
Rotatable Bonds	11
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide?

The IUPAC name of 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide (CID 138719996) is 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide.

What is the SMILES notation for 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide?

The canonical SMILES for 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCNC(=O)C(N)C(C)C.

What is the InChIKey of 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide?

The InChIKey is MSMPFUMUWIQIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O3/c1-6-32-13-18-29-20-21(16-9-7-8-10-17(16)28-22(20)26)30(18)14-24(4,5)33-12-11-27-23(31)19(25)15(2)3/h7-10,15,19H,6,11-14,25H2,1-5H3,(H2,26,28)(H,27,31).

What are the key properties of 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide?

2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide has a molecular weight of 456.59 g/mol, XLogP of 2.60, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[2-[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]oxyethyl]-3-methylbutanamide is sourced from PubChem (CID 138719996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).