1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid

C22H22F3N5O3 — CID 18760170

IUPAC1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)C(COc1ccccn1)n1cnc2c(N)nc3ccccc3c21.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5O.C2HF3O2/c1-13(2)16(11-26-17-9-5-6-10-22-17)25-12-23-18-19(25)14-7-3-4-8-15(14)24-20(18)21;3-2(4,5)1(6)7/h3-10,12-13,16H,11H2,1-2H3,(H2,21,24);(H,6,7)
InChIKeyPZDCRXKHFKYFFH-UHFFFAOYSA-N
MW461.44 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid

1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 18760170) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID18760170
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC Name1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCC(C)C(COc1ccccn1)n1cnc2c(N)nc3ccccc3c21.O=C(O)C(F)(F)F
InChIInChI=1S/C20H21N5O.C2HF3O2/c1-13(2)16(11-26-17-9-5-6-10-22-17)25-12-23-18-19(25)14-7-3-4-8-15(14)24-20(18)21;3-2(4,5)1(6)7/h3-10,12-13,16H,11H2,1-2H3,(H2,21,24);(H,6,7)
InChIKeyPZDCRXKHFKYFFH-UHFFFAOYSA-N
XLogP4.47
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (CID 18760170) is 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is CC(C)C(COc1ccccn1)n1cnc2c(N)nc3ccccc3c21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is PZDCRXKHFKYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.C2HF3O2/c1-13(2)16(11-26-17-9-5-6-10-22-17)25-12-23-18-19(25)14-7-3-4-8-15(14)24-20(18)21;3-2(4,5)1(6)7/h3-10,12-13,16H,11H2,1-2H3,(H2,21,24);(H,6,7).
What are the key properties of 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 461.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18760170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).