(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol

C18H24N4O — CID 155368524

IUPAC(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
SMILESCCCC[C@H](n1cnc2c(N)nc3ccccc3c21)C(C)(C)O
InChIInChI=1S/C18H24N4O/c1-4-5-10-14(18(2,3)23)22-11-20-15-16(22)12-8-6-7-9-13(12)21-17(15)19/h6-9,11,14,23H,4-5,10H2,1-3H3,(H2,19,21)/t14-/m0/s1
InChIKeyFGKWSRQFMDTXIZ-AWEZNQCLSA-N
MW312.42 g/mol
LogP3.67
Rot. Bonds5

About (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol

(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol (PubChem CID 155368524) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol.

Molecular Properties

Compound Name(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
PubChem CID155368524
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol
SMILESCCCC[C@H](n1cnc2c(N)nc3ccccc3c21)C(C)(C)O
InChIInChI=1S/C18H24N4O/c1-4-5-10-14(18(2,3)23)22-11-20-15-16(22)12-8-6-7-9-13(12)21-17(15)19/h6-9,11,14,23H,4-5,10H2,1-3H3,(H2,19,21)/t14-/m0/s1
InChIKeyFGKWSRQFMDTXIZ-AWEZNQCLSA-N
XLogP3.67
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-4-ethoxy-2-methylpentan-2-ol
CID 146596748
1-[(2R)-1-(4-butoxyphenyl)hexan-2-yl]imidazo[4,5-c]quinolin-4-amine;hydrochloride
CID 162715622
1-[(2S)-3-methylbutan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155368483
4-(4-aminoimidazo[4,5-c]quinolin-1-yl)-5-methoxy-2-methylpentan-2-ol
CID 150473168
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374
1-[(1S)-1-(4-aminoimidazo[4,5-c]quinolin-1-yl)propyl]cyclopentan-1-ol
CID 150907191
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-ethylhexan-1-ol
CID 150852921
1-(3-methyl-3-phenylmethoxybutan-2-yl)imidazo[4,5-c]quinolin-4-amine
CID 23395856
2-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylpropan-1-ol
CID 14986953
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-[1-(4-butoxyphenyl)-3-ethoxypropan-2-yl]imidazo[4,5-c]quinolin-4-amine
CID 155355545

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol?
The IUPAC name of (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol (CID 155368524) is (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol.
What is the SMILES notation for (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol?
The canonical SMILES for (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol is CCCC[C@H](n1cnc2c(N)nc3ccccc3c21)C(C)(C)O.
What is the InChIKey of (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol?
The InChIKey is FGKWSRQFMDTXIZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-4-5-10-14(18(2,3)23)22-11-20-15-16(22)12-8-6-7-9-13(12)21-17(15)19/h6-9,11,14,23H,4-5,10H2,1-3H3,(H2,19,21)/t14-/m0/s1.
What are the key properties of (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol?
(3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol has a molecular weight of 312.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-aminoimidazo[4,5-c]quinolin-1-yl)-2-methylheptan-2-ol is sourced from PubChem (CID 155368524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).