methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate

C20H27N5O2 — CID 130289681

IUPACmethyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCN
InChIInChI=1S/C20H27N5O2/c1-3-4-7-16-24-17-18(25(16)11-6-5-10-21)14-9-8-13(20(26)27-2)12-15(14)23-19(17)22/h8-9,12H,3-7,10-11,21H2,1-2H3,(H2,22,23)
InChIKeyLYSCNOINOIJKJF-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.03
Rot. Bonds8

About methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate

methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 130289681) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
PubChem CID130289681
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Namemethyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCN
InChIInChI=1S/C20H27N5O2/c1-3-4-7-16-24-17-18(25(16)11-6-5-10-21)14-9-8-13(20(26)27-2)12-15(14)23-19(17)22/h8-9,12H,3-7,10-11,21H2,1-2H3,(H2,22,23)
InChIKeyLYSCNOINOIJKJF-UHFFFAOYSA-N
XLogP3.03
TPSA109.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate (CID 130289681) is methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCCCN.
What is the InChIKey of methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is LYSCNOINOIJKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-3-4-7-16-24-17-18(25(16)11-6-5-10-21)14-9-8-13(20(26)27-2)12-15(14)23-19(17)22/h8-9,12H,3-7,10-11,21H2,1-2H3,(H2,22,23).
What are the key properties of methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(4-aminobutyl)-2-butylimidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 130289681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).