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

C12H9F3N4 — CID 103964365

IUPAC1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine
SMILESNc1nc2cnc3ccccc3c2n1CC(F)(F)F
InChIInChI=1S/C12H9F3N4/c13-12(14,15)6-19-10-7-3-1-2-4-8(7)17-5-9(10)18-11(19)16/h1-5H,6H2,(H2,16,18)
InChIKeyDYPYYTZLKLSHDO-UHFFFAOYSA-N
MW266.23 g/mol
LogP2.73
Rot. Bonds1

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

1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine (PubChem CID 103964365) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine
PubChem CID103964365
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC Name1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine
SMILESNc1nc2cnc3ccccc3c2n1CC(F)(F)F
InChIInChI=1S/C12H9F3N4/c13-12(14,15)6-19-10-7-3-1-2-4-8(7)17-5-9(10)18-11(19)16/h1-5H,6H2,(H2,16,18)
InChIKeyDYPYYTZLKLSHDO-UHFFFAOYSA-N
XLogP2.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylbutyl)imidazo[4,5-c]quinolin-2-amine
CID 103964359
1-pentylimidazo[4,5-c]quinolin-2-amine
CID 103964360
1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-2-amine
CID 103964383
1-(3-ethylpentan-3-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964530
1-[(2-methyloxolan-2-yl)methyl]imidazo[4,5-c]quinolin-2-amine
CID 103964539
1-(2-ethylimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-2-ol
CID 19737315
1-[1-(dimethylamino)propan-2-yl]imidazo[4,5-c]quinolin-2-amine
CID 103964554
3-(2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropan-1-ol
CID 164568357
1-(4-methoxybutan-2-yl)imidazo[4,5-c]quinolin-2-amine
CID 103964526
2-(chloromethyl)-1-(2-methoxy-2-methylpropyl)imidazo[4,5-c]quinoline
CID 104763468
imidazo[4,5-c]quinolin-1-amine
CID 21075713
2-[1-(2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]propan-2-ol
CID 15224404

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine (CID 103964365) is 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine is Nc1nc2cnc3ccccc3c2n1CC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine?
The InChIKey is DYPYYTZLKLSHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c13-12(14,15)6-19-10-7-3-1-2-4-8(7)17-5-9(10)18-11(19)16/h1-5H,6H2,(H2,16,18).
What are the key properties of 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine?
1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine has a molecular weight of 266.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)imidazo[4,5-c]quinolin-2-amine is sourced from PubChem (CID 103964365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).