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

C25H28N4O3 — CID 71505551

IUPACmethyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCOCc1ccccc1
InChIInChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26/h5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27)
InChIKeyFNZKARJUSMDEAM-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.51
Rot. Bonds9

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

methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71505551) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71505551
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namemethyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCOCc1ccccc1
InChIInChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26/h5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27)
InChIKeyFNZKARJUSMDEAM-UHFFFAOYSA-N
XLogP4.51
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 71505551) is methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCOCc1ccccc1.
What is the InChIKey of methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is FNZKARJUSMDEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26/h5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27).
What are the key properties of methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71505551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).