2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone

C22H22N4O2 — CID 163786847

IUPAC2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone
SMILESCC(C)Cn1cnc2c(N)nc3cc(OCC(=O)c4ccccc4)ccc3c21
InChIInChI=1S/C22H22N4O2/c1-14(2)11-26-13-24-20-21(26)17-9-8-16(10-18(17)25-22(20)23)28-12-19(27)15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25)
InChIKeyMTHMHRANWLUZRA-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.08
Rot. Bonds6

About 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone

2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone (PubChem CID 163786847) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone.

Molecular Properties

Compound Name2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone
PubChem CID163786847
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone
SMILESCC(C)Cn1cnc2c(N)nc3cc(OCC(=O)c4ccccc4)ccc3c21
InChIInChI=1S/C22H22N4O2/c1-14(2)11-26-13-24-20-21(26)17-9-8-16(10-18(17)25-22(20)23)28-12-19(27)15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25)
InChIKeyMTHMHRANWLUZRA-UHFFFAOYSA-N
XLogP4.08
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone?
The IUPAC name of 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone (CID 163786847) is 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone.
What is the SMILES notation for 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone?
The canonical SMILES for 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone is CC(C)Cn1cnc2c(N)nc3cc(OCC(=O)c4ccccc4)ccc3c21.
What is the InChIKey of 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone?
The InChIKey is MTHMHRANWLUZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14(2)11-26-13-24-20-21(26)17-9-8-16(10-18(17)25-22(20)23)28-12-19(27)15-6-4-3-5-7-15/h3-10,13-14H,11-12H2,1-2H3,(H2,23,25).
What are the key properties of 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone?
2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone has a molecular weight of 374.44 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxy-1-phenylethanone is sourced from PubChem (CID 163786847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).