methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate

C21H26N4O5 — CID 90876754

IUPACmethyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate
SMILESCCc1nc2c(NC(=O)COCC(=O)OC)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C21H26N4O5/c1-5-15-23-18-19(25(15)12-21(2,3)28)13-8-6-7-9-14(13)22-20(18)24-16(26)10-30-11-17(27)29-4/h6-9,28H,5,10-12H2,1-4H3,(H,22,24,26)
InChIKeyUVZPKWYPPRTSIU-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.05
Rot. Bonds8

About methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate

methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate (PubChem CID 90876754) has the molecular formula C21H26N4O5 and a molecular weight of 414.46 g/mol. Its IUPAC name is methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate
PubChem CID90876754
Molecular FormulaC21H26N4O5
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC Namemethyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate
SMILESCCc1nc2c(NC(=O)COCC(=O)OC)nc3ccccc3c2n1CC(C)(C)O
InChIInChI=1S/C21H26N4O5/c1-5-15-23-18-19(25(15)12-21(2,3)28)13-8-6-7-9-14(13)22-20(18)24-16(26)10-30-11-17(27)29-4/h6-9,28H,5,10-12H2,1-4H3,(H,22,24,26)
InChIKeyUVZPKWYPPRTSIU-UHFFFAOYSA-N
XLogP2.05
TPSA115.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate?
The IUPAC name of methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate (CID 90876754) is methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate.
What is the SMILES notation for methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate?
The canonical SMILES for methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate is CCc1nc2c(NC(=O)COCC(=O)OC)nc3ccccc3c2n1CC(C)(C)O.
What is the InChIKey of methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate?
The InChIKey is UVZPKWYPPRTSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O5/c1-5-15-23-18-19(25(15)12-21(2,3)28)13-8-6-7-9-14(13)22-20(18)24-16(26)10-30-11-17(27)29-4/h6-9,28H,5,10-12H2,1-4H3,(H,22,24,26).
What are the key properties of methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate?
methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate has a molecular weight of 414.46 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[[2-ethyl-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]amino]-2-oxoethoxy]acetate is sourced from PubChem (CID 90876754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).