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

C21H22N4O — CID 11393852

IUPAC1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1c(COc2ccccc2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H22N4O/c1-14(2)12-25-18(13-26-15-8-4-3-5-9-15)24-19-20(25)16-10-6-7-11-17(16)23-21(19)22/h3-11,14H,12-13H2,1-2H3,(H2,22,23)
InChIKeyUCMWKVYKLOBVOH-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.40
Rot. Bonds5

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

1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 11393852) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine
PubChem CID11393852
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)Cn1c(COc2ccccc2)nc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H22N4O/c1-14(2)12-25-18(13-26-15-8-4-3-5-9-15)24-19-20(25)16-10-6-7-11-17(16)23-21(19)22/h3-11,14H,12-13H2,1-2H3,(H2,22,23)
InChIKeyUCMWKVYKLOBVOH-UHFFFAOYSA-N
XLogP4.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine (CID 11393852) is 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine is CC(C)Cn1c(COc2ccccc2)nc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is UCMWKVYKLOBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14(2)12-25-18(13-26-15-8-4-3-5-9-15)24-19-20(25)16-10-6-7-11-17(16)23-21(19)22/h3-11,14H,12-13H2,1-2H3,(H2,22,23).
What are the key properties of 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine?
1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 346.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-(phenoxymethyl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11393852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).