ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate

C24H33N5O5 — CID 118451556

IUPACethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate
SMILESCCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OC(=O)CN
InChIInChI=1S/C24H33N5O5/c1-5-32-13-18-28-21-22(29(18)14-24(3,4)34-20(31)12-25)16-9-7-15(8-10-19(30)33-6-2)11-17(16)27-23(21)26/h7,9,11H,5-6,8,10,12-14,25H2,1-4H3,(H2,26,27)
InChIKeySCCSYTVGXWOGDH-UHFFFAOYSA-N
MW471.56 g/mol
LogP2.48
Rot. Bonds11

About ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate

ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate (PubChem CID 118451556) has the molecular formula C24H33N5O5 and a molecular weight of 471.56 g/mol. Its IUPAC name is ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate
PubChem CID118451556
Molecular FormulaC24H33N5O5
Molecular Weight471.56 g/mol
Exact Mass471.25
IUPAC Nameethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate
SMILESCCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OC(=O)CN
InChIInChI=1S/C24H33N5O5/c1-5-32-13-18-28-21-22(29(18)14-24(3,4)34-20(31)12-25)16-9-7-15(8-10-19(30)33-6-2)11-17(16)27-23(21)26/h7,9,11H,5-6,8,10,12-14,25H2,1-4H3,(H2,26,27)
InChIKeySCCSYTVGXWOGDH-UHFFFAOYSA-N
XLogP2.48
TPSA144.58 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
The IUPAC name of ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate (CID 118451556) is ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate.
What is the SMILES notation for ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
The canonical SMILES for ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate is CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OC(=O)CN.
What is the InChIKey of ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
The InChIKey is SCCSYTVGXWOGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O5/c1-5-32-13-18-28-21-22(29(18)14-24(3,4)34-20(31)12-25)16-9-7-15(8-10-19(30)33-6-2)11-17(16)27-23(21)26/h7,9,11H,5-6,8,10,12-14,25H2,1-4H3,(H2,26,27).
What are the key properties of ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate has a molecular weight of 471.56 g/mol, XLogP of 2.48, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-amino-1-[2-(2-aminoacetyl)oxy-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate is sourced from PubChem (CID 118451556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).