1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine

C22H24N4O — CID 23395856

IUPAC1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(n1cnc2c(N)nc3ccccc3c21)C(C)(C)OCc1ccccc1
InChIInChI=1S/C22H24N4O/c1-15(22(2,3)27-13-16-9-5-4-6-10-16)26-14-24-19-20(26)17-11-7-8-12-18(17)25-21(19)23/h4-12,14-15H,13H2,1-3H3,(H2,23,25)
InChIKeyLIYHLAGCSRPFDF-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.72
Rot. Bonds5

About 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine

1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine (PubChem CID 23395856) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
PubChem CID23395856
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
SMILESCC(n1cnc2c(N)nc3ccccc3c21)C(C)(C)OCc1ccccc1
InChIInChI=1S/C22H24N4O/c1-15(22(2,3)27-13-16-9-5-4-6-10-16)26-14-24-19-20(26)17-11-7-8-12-18(17)25-21(19)23/h4-12,14-15H,13H2,1-3H3,(H2,23,25)
InChIKeyLIYHLAGCSRPFDF-UHFFFAOYSA-N
XLogP4.72
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483
1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 142145754
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
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 146637091
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
CID 155368524
potassium;2-methylpropan-2-olate;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 158181700
4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-3-methylbutoxy]benzoic acid
CID 59119319
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-1-ol
CID 14986953
1-[(1S)-1-(4-aminoimidazo[4,5-c]quinolin-1-yl)propyl]cyclopentan-1-ol
CID 150907191

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine (CID 23395856) is 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine is CC(n1cnc2c(N)nc3ccccc3c21)C(C)(C)OCc1ccccc1.
What is the InChIKey of 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
The InChIKey is LIYHLAGCSRPFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-15(22(2,3)27-13-16-9-5-4-6-10-16)26-14-24-19-20(26)17-11-7-8-12-18(17)25-21(19)23/h4-12,14-15H,13H2,1-3H3,(H2,23,25).
What are the key properties of 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine?
1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine has a molecular weight of 360.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 23395856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).