1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine

C25H27F3N4O — CID 11340046

IUPAC1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2n1CC(C)C
InChIInChI=1S/C25H27F3N4O/c1-4-5-21-31-22-23(32(21)13-15(2)3)19-11-10-18(12-20(19)30-24(22)29)33-14-16-6-8-17(9-7-16)25(26,27)28/h6-12,15H,4-5,13-14H2,1-3H3,(H2,29,30)
InChIKeyPDCBQYAQOOYCAH-UHFFFAOYSA-N
MW456.51 g/mol
LogP6.37
Rot. Bonds7

About 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine

1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine (PubChem CID 11340046) has the molecular formula C25H27F3N4O and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
PubChem CID11340046
Molecular FormulaC25H27F3N4O
Molecular Weight456.51 g/mol
Exact Mass456.21
IUPAC Name1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine
SMILESCCCc1nc2c(N)nc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2n1CC(C)C
InChIInChI=1S/C25H27F3N4O/c1-4-5-21-31-22-23(32(21)13-15(2)3)19-11-10-18(12-20(19)30-24(22)29)33-14-16-6-8-17(9-7-16)25(26,27)28/h6-12,15H,4-5,13-14H2,1-3H3,(H2,29,30)
InChIKeyPDCBQYAQOOYCAH-UHFFFAOYSA-N
XLogP6.37
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.51
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

7-[(3,4-dichlorophenyl)methoxy]-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11351558
7-(3-aminopropoxy)-1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 58833712
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
2-(2-methoxyethyl)-1-(2-methylpropyl)-7-(2-pyrrol-1-ylethoxy)imidazo[4,5-c]quinolin-4-amine
CID 143012822
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
N-[2-[4-amino-2-methyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-7-yl]oxyethyl]methanesulfonamide
CID 58833656
4-[4-amino-2-(2-hydroxyethyl)-7-phenylmethoxyimidazo[4,5-c]quinolin-1-yl]butylurea
CID 143012819
2-methyl-1-(2-methylpropyl)-7-[2-(1-methylsulfanylpiperidin-4-yl)ethoxy]imidazo[4,5-c]quinolin-4-amine
CID 143030116
1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46310823
O-[3-(4-amino-7-bromo-2-propylimidazo[4,5-c]quinolin-1-yl)propyl]hydroxylamine
CID 68539386

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine (CID 11340046) is 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine is CCCc1nc2c(N)nc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3c2n1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is PDCBQYAQOOYCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O/c1-4-5-21-31-22-23(32(21)13-15(2)3)19-11-10-18(12-20(19)30-24(22)29)33-14-16-6-8-17(9-7-16)25(26,27)28/h6-12,15H,4-5,13-14H2,1-3H3,(H2,29,30).
What are the key properties of 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine?
1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 456.51 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-propyl-7-[[4-(trifluoromethyl)phenyl]methoxy]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 11340046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).