1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine

C35H50N8O4 — CID 145348511

About 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine

1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine (PubChem CID 145348511) has the molecular formula C35H50N8O4 and a molecular weight of 646.84 g/mol. Its IUPAC name is 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine.

Molecular Properties

• Compound Name: 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine
• PubChem CID: 145348511
• Molecular Formula: C35H50N8O4
• Molecular Weight: 646.84 g/mol
• Exact Mass: 646.40
• IUPAC Name: 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine
• SMILES: CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3.COCCn1cnc2c(C(C)(C)C(N)OC)nc3ccccc3c21
• InChI: InChI=1S/C18H24N4O2.C17H26N4O2/c1-18(2,17(19)24-4)16-14-15(22(11-20-14)9-10-23-3)12-7-5-6-8-13(12)21-16;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,11,17H,9-10,19H2,1-4H3;22H,4-10H2,1-3H3,(H2,18,19)
• InChIKey: LFGHGUPQTXXSPV-UHFFFAOYSA-N
• XLogP: 4.64
• TPSA: 161.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	646.84
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine?

The IUPAC name of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine (CID 145348511) is 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine.

What is the SMILES notation for 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine?

The canonical SMILES for 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine is CCOCc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3.COCCn1cnc2c(C(C)(C)C(N)OC)nc3ccccc3c21.

What is the InChIKey of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine?

The InChIKey is LFGHGUPQTXXSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.C17H26N4O2/c1-18(2,17(19)24-4)16-14-15(22(11-20-14)9-10-23-3)12-7-5-6-8-13(12)21-16;1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,11,17H,9-10,19H2,1-4H3;22H,4-10H2,1-3H3,(H2,18,19).

What are the key properties of 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine?

1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine has a molecular weight of 646.84 g/mol, XLogP of 4.64, 11 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-amino-2-(ethoxymethyl)-6,7,8,9-tetrahydroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;1-methoxy-2-[1-(2-methoxyethyl)imidazo[4,5-c]quinolin-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 145348511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).