1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine

C21H19F3N4O — CID 142145754

IUPAC1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESC[C@H](COCc1ccc(C(F)(F)F)cc1)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H19F3N4O/c1-13(10-29-11-14-6-8-15(9-7-14)21(22,23)24)28-12-26-18-19(28)16-4-2-3-5-17(16)27-20(18)25/h2-9,12-13H,10-11H2,1H3,(H2,25,27)/t13-/m1/s1
InChIKeyADABZZBTRXOHGR-CYBMUJFWSA-N
MW400.40 g/mol
LogP4.96
Rot. Bonds5

About 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine

1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 142145754) has the molecular formula C21H19F3N4O and a molecular weight of 400.40 g/mol. Its IUPAC name is 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
PubChem CID142145754
Molecular FormulaC21H19F3N4O
Molecular Weight400.40 g/mol
Exact Mass400.15
IUPAC Name1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESC[C@H](COCc1ccc(C(F)(F)F)cc1)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C21H19F3N4O/c1-13(10-29-11-14-6-8-15(9-7-14)21(22,23)24)28-12-26-18-19(28)16-4-2-3-5-17(16)27-20(18)25/h2-9,12-13H,10-11H2,1H3,(H2,25,27)/t13-/m1/s1
InChIKeyADABZZBTRXOHGR-CYBMUJFWSA-N
XLogP4.96
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 23395856
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483
1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 146637091
1-[1-(2-aminoethoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 152657233
1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715621
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155355545
4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-3-methylbutoxy]benzoic acid
CID 59119319
1-[1-[(5-chloro-1-benzothiophen-3-yl)methoxy]-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 10114876
2-(4-chloroimidazo[4,5-c]quinolin-1-yl)propyl acetate
CID 14986948
1-[(2R)-1-(4-butoxyphenyl)hexan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715622

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 142145754) is 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine is C[C@H](COCc1ccc(C(F)(F)F)cc1)n1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is ADABZZBTRXOHGR-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H19F3N4O/c1-13(10-29-11-14-6-8-15(9-7-14)21(22,23)24)28-12-26-18-19(28)16-4-2-3-5-17(16)27-20(18)25/h2-9,12-13H,10-11H2,1H3,(H2,25,27)/t13-/m1/s1.
What are the key properties of 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine?
1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 400.40 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 142145754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).