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

C15H18N4 — CID 155368483

IUPAC1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)[C@H](C)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C15H18N4/c1-9(2)10(3)19-8-17-13-14(19)11-6-4-5-7-12(11)18-15(13)16/h4-10H,1-3H3,(H2,16,18)/t10-/m0/s1
InChIKeyUQVZKKGBZNRKGH-JTQLQIEISA-N
MW254.34 g/mol
LogP3.38
Rot. Bonds2

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

1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine (PubChem CID 155368483) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
PubChem CID155368483
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
SMILESCC(C)[C@H](C)n1cnc2c(N)nc3ccccc3c21
InChIInChI=1S/C15H18N4/c1-9(2)10(3)19-8-17-13-14(19)11-6-4-5-7-12(11)18-15(13)16/h4-10H,1-3H3,(H2,16,18)/t10-/m0/s1
InChIKeyUQVZKKGBZNRKGH-JTQLQIEISA-N
XLogP3.38
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 23395856
4-[2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-3-methylbutoxy]benzoic acid
CID 59119319
(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[(1S)-1-(4-aminoimidazo[4,5-c]quinolin-1-yl)propyl]cyclopentan-1-ol
CID 150907191
1-[(2R)-1-methoxy-3-phenylpropan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715621
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
CID 155368524
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
potassium;2-methylpropan-2-olate;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 158181700
1-[(2R)-1-[[4-(trifluoromethyl)phenyl]methoxy]propan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 142145754
1-[1-[(5-chloro-1-benzothiophen-3-yl)methoxy]-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 10114876

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine (CID 155368483) is 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine is CC(C)[C@H](C)n1cnc2c(N)nc3ccccc3c21.
What is the InChIKey of 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
The InChIKey is UQVZKKGBZNRKGH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4/c1-9(2)10(3)19-8-17-13-14(19)11-6-4-5-7-12(11)18-15(13)16/h4-10H,1-3H3,(H2,16,18)/t10-/m0/s1.
What are the key properties of 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine?
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 155368483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).