methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate

C21H28N4O3 — CID 71505363

IUPACmethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C21H28N4O3/c1-5-6-7-8-16-24-17-18(25(16)12-21(2,3)27)14-10-9-13(20(26)28-4)11-15(14)23-19(17)22/h9-11,27H,5-8,12H2,1-4H3,(H2,22,23)
InChIKeyGLQTVAWDQNPURO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.46
Rot. Bonds7

About methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71505363) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71505363
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Namemethyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C21H28N4O3/c1-5-6-7-8-16-24-17-18(25(16)12-21(2,3)27)14-10-9-13(20(26)28-4)11-15(14)23-19(17)22/h9-11,27H,5-8,12H2,1-4H3,(H2,22,23)
InChIKeyGLQTVAWDQNPURO-UHFFFAOYSA-N
XLogP3.46
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate (CID 71505363) is methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate is CCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O.
What is the InChIKey of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is GLQTVAWDQNPURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-5-6-7-8-16-24-17-18(25(16)12-21(2,3)27)14-10-9-13(20(26)28-4)11-15(14)23-19(17)22/h9-11,27H,5-8,12H2,1-4H3,(H2,22,23).
What are the key properties of methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 384.48 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(2-hydroxy-2-methylpropyl)-2-pentylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71505363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).