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

C20H26N4O3 — CID 71284052

IUPACmethyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C20H26N4O3/c1-5-6-7-15-23-16-17(24(15)11-20(2,3)26)13-9-8-12(19(25)27-4)10-14(13)22-18(16)21/h8-10,26H,5-7,11H2,1-4H3,(H2,21,22)
InChIKeyVMUKZTRCWGVBDU-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.07
Rot. Bonds6

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

methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71284052) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71284052
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Namemethyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O
InChIInChI=1S/C20H26N4O3/c1-5-6-7-15-23-16-17(24(15)11-20(2,3)26)13-9-8-12(19(25)27-4)10-14(13)22-18(16)21/h8-10,26H,5-7,11H2,1-4H3,(H2,21,22)
InChIKeyVMUKZTRCWGVBDU-UHFFFAOYSA-N
XLogP3.07
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[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-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 71284052) is methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CC(C)(C)O.
What is the InChIKey of methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is VMUKZTRCWGVBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-6-7-15-23-16-17(24(15)11-20(2,3)26)13-9-8-12(19(25)27-4)10-14(13)22-18(16)21/h8-10,26H,5-7,11H2,1-4H3,(H2,21,22).
What are the key properties of methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 370.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-butyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71284052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).