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

C18H24N4O — CID 134551992

IUPAC1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)C
InChIInChI=1S/C18H24N4O/c1-5-23-10-14-21-15-16(22(14)11-18(2,3)4)12-8-6-7-9-13(12)20-17(15)19/h6-9H,5,10-11H2,1-4H3,(H2,19,20)
InChIKeyMLENSVLSIBWDTQ-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.75
Rot. Bonds4

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

1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 134551992) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID134551992
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)C
InChIInChI=1S/C18H24N4O/c1-5-23-10-14-21-15-16(22(14)11-18(2,3)4)12-8-6-7-9-13(12)20-17(15)19/h6-9H,5,10-11H2,1-4H3,(H2,19,20)
InChIKeyMLENSVLSIBWDTQ-UHFFFAOYSA-N
XLogP3.75
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 134551992) is 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)C.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is MLENSVLSIBWDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-5-23-10-14-21-15-16(22(14)11-18(2,3)4)12-8-6-7-9-13(12)20-17(15)19/h6-9H,5,10-11H2,1-4H3,(H2,19,20).
What are the key properties of 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine?
1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 134551992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).