[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate

C19H25N5O3 — CID 118451591

IUPAC[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OC(=O)CN
InChIInChI=1S/C19H25N5O3/c1-4-26-10-14-23-16-17(12-7-5-6-8-13(12)22-18(16)21)24(14)11-19(2,3)27-15(25)9-20/h5-8H,4,9-11,20H2,1-3H3,(H2,21,22)
InChIKeyAMFXKVJFWIICMM-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.98
Rot. Bonds7

About [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate

[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate (PubChem CID 118451591) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate.

Molecular Properties

Compound Name[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate
PubChem CID118451591
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OC(=O)CN
InChIInChI=1S/C19H25N5O3/c1-4-26-10-14-23-16-17(12-7-5-6-8-13(12)22-18(16)21)24(14)11-19(2,3)27-15(25)9-20/h5-8H,4,9-11,20H2,1-3H3,(H2,21,22)
InChIKeyAMFXKVJFWIICMM-UHFFFAOYSA-N
XLogP1.98
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate?
The IUPAC name of [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate (CID 118451591) is [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate.
What is the SMILES notation for [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate?
The canonical SMILES for [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OC(=O)CN.
What is the InChIKey of [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate?
The InChIKey is AMFXKVJFWIICMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-4-26-10-14-23-16-17(12-7-5-6-8-13(12)22-18(16)21)24(14)11-19(2,3)27-15(25)9-20/h5-8H,4,9-11,20H2,1-3H3,(H2,21,22).
What are the key properties of [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate?
[1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate has a molecular weight of 371.44 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl] 2-aminoacetate is sourced from PubChem (CID 118451591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).