(1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol

C26H34N4O2 — CID 144507404

About (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol

(1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol (PubChem CID 144507404) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol.

Molecular Properties

• Compound Name: (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
• PubChem CID: 144507404
• Molecular Formula: C26H34N4O2
• Molecular Weight: 434.58 g/mol
• Exact Mass: 434.27
• IUPAC Name: (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol
• SMILES: C[C@@H](O)c1nc2cnc3ccccc3c2n1C1CCC(NC(OC(C)(C)C)=C2CCC2)C1
• InChI: InChI=1S/C26H34N4O2/c1-16(31)24-29-22-15-27-21-11-6-5-10-20(21)23(22)30(24)19-13-12-18(14-19)28-25(17-8-7-9-17)32-26(2,3)4/h5-6,10-11,15-16,18-19,28,31H,7-9,12-14H2,1-4H3/t16-,18?,19?/m1/s1
• InChIKey: JPWAYBHXHSUVIQ-IPJUCJBFSA-N
• XLogP: 5.53
• TPSA: 72.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.58
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?

The IUPAC name of (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol (CID 144507404) is (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol.

What is the SMILES notation for (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?

The canonical SMILES for (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol is C[C@@H](O)c1nc2cnc3ccccc3c2n1C1CCC(NC(OC(C)(C)C)=C2CCC2)C1.

What is the InChIKey of (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?

The InChIKey is JPWAYBHXHSUVIQ-IPJUCJBFSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-16(31)24-29-22-15-27-21-11-6-5-10-20(21)23(22)30(24)19-13-12-18(14-19)28-25(17-8-7-9-17)32-26(2,3)4/h5-6,10-11,15-16,18-19,28,31H,7-9,12-14H2,1-4H3/t16-,18?,19?/m1/s1.

What are the key properties of (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol?

(1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol has a molecular weight of 434.58 g/mol, XLogP of 5.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-[1-[3-[[cyclobutylidene-[(2-methylpropan-2-yl)oxy]methyl]amino]cyclopentyl]imidazo[4,5-c]quinolin-2-yl]ethanol is sourced from PubChem (CID 144507404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).