1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

C19H27N5O2 — CID 118451585

IUPAC1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C19H27N5O2/c1-4-25-11-15-23-16-17(24(15)12-19(2,3)26-10-9-20)13-7-5-6-8-14(13)22-18(16)21/h5-8H,4,9-12,20H2,1-3H3,(H2,21,22)
InChIKeyMMGIMCFVDIHCIY-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.46
Rot. Bonds8

About 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine

1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 118451585) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID118451585
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN
InChIInChI=1S/C19H27N5O2/c1-4-25-11-15-23-16-17(24(15)12-19(2,3)26-10-9-20)13-7-5-6-8-14(13)22-18(16)21/h5-8H,4,9-12,20H2,1-3H3,(H2,21,22)
InChIKeyMMGIMCFVDIHCIY-UHFFFAOYSA-N
XLogP2.46
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 118451585) is 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)OCCN.
What is the InChIKey of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is MMGIMCFVDIHCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-25-11-15-23-16-17(24(15)12-19(2,3)26-10-9-20)13-7-5-6-8-14(13)22-18(16)21/h5-8H,4,9-12,20H2,1-3H3,(H2,21,22).
What are the key properties of 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 357.46 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)-2-methylpropyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 118451585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).