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

C25H28N4O3 — CID 71505887

IUPACbenzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OCc4ccccc4)ccc3c2n1CC(C)O
InChIInChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)14-16(2)30)19-12-11-18(13-20(19)27-24(22)26)25(31)32-15-17-8-6-5-7-9-17/h5-9,11-13,16,30H,3-4,10,14-15H2,1-2H3,(H2,26,27)
InChIKeyAEJYXBMLXMKFDT-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.25
Rot. Bonds8

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

benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71505887) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namebenzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71505887
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Namebenzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OCc4ccccc4)ccc3c2n1CC(C)O
InChIInChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)14-16(2)30)19-12-11-18(13-20(19)27-24(22)26)25(31)32-15-17-8-6-5-7-9-17/h5-9,11-13,16,30H,3-4,10,14-15H2,1-2H3,(H2,26,27)
InChIKeyAEJYXBMLXMKFDT-UHFFFAOYSA-N
XLogP4.25
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 71505887) is benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OCc4ccccc4)ccc3c2n1CC(C)O.
What is the InChIKey of benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is AEJYXBMLXMKFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)14-16(2)30)19-12-11-18(13-20(19)27-24(22)26)25(31)32-15-17-8-6-5-7-9-17/h5-9,11-13,16,30H,3-4,10,14-15H2,1-2H3,(H2,26,27).
What are the key properties of benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate?
benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 432.52 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-2-butyl-1-(2-hydroxypropyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71505887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).