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

C24H35N5O4 — CID 118451575

IUPACethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate
SMILESCCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C24H35N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7,9,13H,5-6,8,10-12,14-15,25H2,1-4H3,(H2,26,27)
InChIKeyCBIHUSLWRFJGHZ-UHFFFAOYSA-N
MW457.58 g/mol
LogP2.95
Rot. Bonds12

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

ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate (PubChem CID 118451575) has the molecular formula C24H35N5O4 and a molecular weight of 457.58 g/mol. Its IUPAC name is ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate
PubChem CID118451575
Molecular FormulaC24H35N5O4
Molecular Weight457.58 g/mol
Exact Mass457.27
IUPAC Nameethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate
SMILESCCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C24H35N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7,9,13H,5-6,8,10-12,14-15,25H2,1-4H3,(H2,26,27)
InChIKeyCBIHUSLWRFJGHZ-UHFFFAOYSA-N
XLogP2.95
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
The IUPAC name of ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate (CID 118451575) is ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-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-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
The canonical SMILES for ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate is CCOCc1nc2c(N)nc3cc(CCC(=O)OCC)ccc3c2n1CC(C)(C)OCCN.
What is the InChIKey of ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
The InChIKey is CBIHUSLWRFJGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O4/c1-5-31-14-19-28-21-22(29(19)15-24(3,4)33-12-11-25)17-9-7-16(8-10-20(30)32-6-2)13-18(17)27-23(21)26/h7,9,13H,5-6,8,10-12,14-15,25H2,1-4H3,(H2,26,27).
What are the key properties of ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate?
ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate has a molecular weight of 457.58 g/mol, XLogP of 2.95, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-amino-1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-7-yl]propanoate is sourced from PubChem (CID 118451575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).