1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine

C17H22N4O — CID 146637091

IUPAC1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOC[C@@H](C(C)C)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C17H22N4O/c1-4-22-9-14(11(2)3)21-10-19-15-16(21)12-7-5-6-8-13(12)20-17(15)18/h5-8,10-11,14H,4,9H2,1-3H3,(H2,18,20)/t14-/m0/s1
InChIKeyGKLSJVOKLQCOBF-AWEZNQCLSA-N
MW298.39 g/mol
LogP3.40
Rot. Bonds5

About 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine

1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 146637091) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
PubChem CID146637091
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCCOC[C@@H](C(C)C)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C17H22N4O/c1-4-22-9-14(11(2)3)21-10-19-15-16(21)12-7-5-6-8-13(12)20-17(15)18/h5-8,10-11,14H,4,9H2,1-3H3,(H2,18,20)/t14-/m0/s1
InChIKeyGKLSJVOKLQCOBF-AWEZNQCLSA-N
XLogP3.40
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.40
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
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
1-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155355545
1-[1-(2-aminoethoxy)ethyl]imidazo[4,5-c]quinolin-4-amine
CID 152657233
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715621
1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 23395856
1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 142145754
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
1-[(1S)-1-(4-aminoimidazo[4,5-c]quinolin-1-yl)propyl]cyclopentan-1-ol
CID 150907191
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
CID 155368524

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 146637091) is 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine is CCOC[C@@H](C(C)C)n1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is GKLSJVOKLQCOBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O/c1-4-22-9-14(11(2)3)21-10-19-15-16(21)12-7-5-6-8-13(12)20-17(15)18/h5-8,10-11,14H,4,9H2,1-3H3,(H2,18,20)/t14-/m0/s1.
What are the key properties of 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-ethoxy-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 146637091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).