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

C18H22N4O3 — CID 71292276

IUPACmethyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCO
InChIInChI=1S/C18H22N4O3/c1-3-4-5-14-21-15-16(22(14)8-9-23)12-7-6-11(18(24)25-2)10-13(12)20-17(15)19/h6-7,10,23H,3-5,8-9H2,1-2H3,(H2,19,20)
InChIKeySTKCEXWJBRFRKU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.29
Rot. Bonds6

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

methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate (PubChem CID 71292276) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
PubChem CID71292276
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Namemethyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate
SMILESCCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCO
InChIInChI=1S/C18H22N4O3/c1-3-4-5-14-21-15-16(22(14)8-9-23)12-7-6-11(18(24)25-2)10-13(12)20-17(15)19/h6-7,10,23H,3-5,8-9H2,1-2H3,(H2,19,20)
InChIKeySTKCEXWJBRFRKU-UHFFFAOYSA-N
XLogP2.29
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The IUPAC name of methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate (CID 71292276) is methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate.
What is the SMILES notation for methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The canonical SMILES for methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate is CCCCc1nc2c(N)nc3cc(C(=O)OC)ccc3c2n1CCO.
What is the InChIKey of methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
The InChIKey is STKCEXWJBRFRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-4-5-14-21-15-16(22(14)8-9-23)12-7-6-11(18(24)25-2)10-13(12)20-17(15)19/h6-7,10,23H,3-5,8-9H2,1-2H3,(H2,19,20).
What are the key properties of methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate?
methyl 4-amino-2-butyl-1-(2-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.29, 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-hydroxyethyl)imidazo[4,5-c]quinoline-7-carboxylate is sourced from PubChem (CID 71292276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).