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

C21H20F3N5O3 — CID 18760191

IUPAC1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCCC(COc1ccccn1)n1cnc2c(N)nc3ccccc3c21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19N5O.C2HF3O2/c1-2-13(11-25-16-9-5-6-10-21-16)24-12-22-17-18(24)14-7-3-4-8-15(14)23-19(17)20;3-2(4,5)1(6)7/h3-10,12-13H,2,11H2,1H3,(H2,20,23);(H,6,7)
InChIKeyTWVUYRLIJHYQSV-UHFFFAOYSA-N
MW447.42 g/mol
LogP4.23
Rot. Bonds5

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

1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 18760191) has the molecular formula C21H20F3N5O3 and a molecular weight of 447.42 g/mol. Its IUPAC name is 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID18760191
Molecular FormulaC21H20F3N5O3
Molecular Weight447.42 g/mol
Exact Mass447.15
IUPAC Name1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid
SMILESCCC(COc1ccccn1)n1cnc2c(N)nc3ccccc3c21.O=C(O)C(F)(F)F
InChIInChI=1S/C19H19N5O.C2HF3O2/c1-2-13(11-25-16-9-5-6-10-21-16)24-12-22-17-18(24)14-7-3-4-8-15(14)23-19(17)20;3-2(4,5)1(6)7/h3-10,12-13H,2,11H2,1H3,(H2,20,23);(H,6,7)
InChIKeyTWVUYRLIJHYQSV-UHFFFAOYSA-N
XLogP4.23
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.42
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid (CID 18760191) is 1-(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-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is CCC(COc1ccccn1)n1cnc2c(N)nc3ccccc3c21.O=C(O)C(F)(F)F.
What is the InChIKey of 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is TWVUYRLIJHYQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.C2HF3O2/c1-2-13(11-25-16-9-5-6-10-21-16)24-12-22-17-18(24)14-7-3-4-8-15(14)23-19(17)20;3-2(4,5)1(6)7/h3-10,12-13H,2,11H2,1H3,(H2,20,23);(H,6,7).
What are the key properties of 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid?
1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 447.42 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyridin-2-yloxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 18760191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).