1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

C25H28F3N5O2 — CID 175941252

IUPAC1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(COCC(F)(F)F)nc2c(N)nc3cc(Cc4cccc(CN)c4)ccc3c21
InChIInChI=1S/C25H28F3N5O2/c1-24(2,34)13-33-20(12-35-14-25(26,27)28)32-21-22(33)18-7-6-16(10-19(18)31-23(21)30)8-15-4-3-5-17(9-15)11-29/h3-7,9-10,34H,8,11-14,29H2,1-2H3,(H2,30,31)
InChIKeyDLVFQVBLVLRVIW-UHFFFAOYSA-N
MW487.53 g/mol
LogP4.07
Rot. Bonds8

About 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol

1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (PubChem CID 175941252) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
PubChem CID175941252
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1c(COCC(F)(F)F)nc2c(N)nc3cc(Cc4cccc(CN)c4)ccc3c21
InChIInChI=1S/C25H28F3N5O2/c1-24(2,34)13-33-20(12-35-14-25(26,27)28)32-21-22(33)18-7-6-16(10-19(18)31-23(21)30)8-15-4-3-5-17(9-15)11-29/h3-7,9-10,34H,8,11-14,29H2,1-2H3,(H2,30,31)
InChIKeyDLVFQVBLVLRVIW-UHFFFAOYSA-N
XLogP4.07
TPSA112.21 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-amino-7-[[4-(aminomethyl)phenyl]methyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941260
3-[[4-amino-2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]methyl]phenol
CID 175941363
1-[4-amino-2-(ethoxymethyl)-7-[(3-piperidin-4-ylphenyl)methyl]imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 175941305
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534
N'-[1-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-yl]propane-1,3-diamine
CID 175941283
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-(4-aminobutyl)-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 175941287
1-[4-amino-2-(methoxymethyl)-7-(4-methylsulfonylbutyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 146731928
tert-butyl N-[4-[4-amino-7-benzyl-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]butyl]carbamate
CID 176656337
[4-amino-7-bromo-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methyl N-ethylcarbamate
CID 176885321
1-[[4-amino-1-(2-hydroxy-2-methylpropyl)imidazo[4,5-c]quinolin-2-yl]methoxy]-3-methylurea
CID 11164204
1-[4-amino-2-(ethylsulfinylmethyl)-7-fluoroimidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 148598404

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol (CID 175941252) is 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1c(COCC(F)(F)F)nc2c(N)nc3cc(Cc4cccc(CN)c4)ccc3c21.
What is the InChIKey of 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
The InChIKey is DLVFQVBLVLRVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c1-24(2,34)13-33-20(12-35-14-25(26,27)28)32-21-22(33)18-7-6-16(10-19(18)31-23(21)30)8-15-4-3-5-17(9-15)11-29/h3-7,9-10,34H,8,11-14,29H2,1-2H3,(H2,30,31).
What are the key properties of 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol?
1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol has a molecular weight of 487.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-7-[[3-(aminomethyl)phenyl]methyl]-2-(2,2,2-trifluoroethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 175941252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).