1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

C45H55N11O2S — CID 145026392

IUPAC1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC.CC(C)Cn1cnc2c(N)nc3ccccc3c21.CCC(C)(O)Cn1c(CO)nc2c(N)nc3ccccc3c21.CCCc1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C16H20N4O2.C14H16N4.C13H13N3S.C2H6/c1-3-16(2,22)9-20-12(8-21)19-13-14(20)10-6-4-5-7-11(10)18-15(13)17;1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15;1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14;1-2/h4-7,21-22H,3,8-9H2,1-2H3,(H2,17,18);3-6,8-9H,7H2,1-2H3,(H2,15,17);3-4,6-7H,2,5H2,1H3,(H2,14,15);1-2H3
InChIKeyVLFJWTUPMAIXHN-UHFFFAOYSA-N
MW814.08 g/mol
LogP9.05
Rot. Bonds8

About 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine

1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (PubChem CID 145026392) has the molecular formula C45H55N11O2S and a molecular weight of 814.08 g/mol. Its IUPAC name is 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.

Molecular Properties

Compound Name1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
PubChem CID145026392
Molecular FormulaC45H55N11O2S
Molecular Weight814.08 g/mol
Exact Mass813.43
IUPAC Name1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine
SMILESCC.CC(C)Cn1cnc2c(N)nc3ccccc3c21.CCC(C)(O)Cn1c(CO)nc2c(N)nc3ccccc3c21.CCCc1nc2c(N)nc3ccccc3c2s1
InChIInChI=1S/C16H20N4O2.C14H16N4.C13H13N3S.C2H6/c1-3-16(2,22)9-20-12(8-21)19-13-14(20)10-6-4-5-7-11(10)18-15(13)17;1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15;1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14;1-2/h4-7,21-22H,3,8-9H2,1-2H3,(H2,17,18);3-6,8-9H,7H2,1-2H3,(H2,15,17);3-4,6-7H,2,5H2,1H3,(H2,14,15);1-2H3
InChIKeyVLFJWTUPMAIXHN-UHFFFAOYSA-N
XLogP9.05
TPSA205.72 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.08
LogP ≤ 59.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine with MolForge

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Related Compounds

potassium;2-methylpropan-2-olate;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 158181700
1-(2-methylpropyl)-2-propylimidazo[4,5-c]quinolin-4-amine
CID 11150246
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methyl-3-methylsulfanylpropan-2-ol
CID 143292286
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260
[1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-yl]hydrazine
CID 11107934
1-(4-amino-2-propylimidazo[4,5-c]quinolin-1-yl)butan-2-ol
CID 143198142
ethane;2-ethyl-1-propylimidazo[4,5-c]quinolin-4-amine
CID 143284639
3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)-2,2-dimethylpropane-1-thiol
CID 166933556
2-butyl-1-(2,2-dimethylpentyl)imidazo[4,5-c]quinolin-4-amine
CID 170078321
1-[4-amino-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol chloride
CID 76902470
1-[4-amino-2-(trifluoromethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 149195534

Frequently Asked Questions

What is the IUPAC name of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The IUPAC name of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine (CID 145026392) is 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine.
What is the SMILES notation for 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The canonical SMILES for 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is CC.CC(C)Cn1cnc2c(N)nc3ccccc3c21.CCC(C)(O)Cn1c(CO)nc2c(N)nc3ccccc3c21.CCCc1nc2c(N)nc3ccccc3c2s1.
What is the InChIKey of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
The InChIKey is VLFJWTUPMAIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C14H16N4.C13H13N3S.C2H6/c1-3-16(2,22)9-20-12(8-21)19-13-14(20)10-6-4-5-7-11(10)18-15(13)17;1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15;1-2-5-10-16-11-12(17-10)8-6-3-4-7-9(8)15-13(11)14;1-2/h4-7,21-22H,3,8-9H2,1-2H3,(H2,17,18);3-6,8-9H,7H2,1-2H3,(H2,15,17);3-4,6-7H,2,5H2,1H3,(H2,14,15);1-2H3.
What are the key properties of 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine?
1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine has a molecular weight of 814.08 g/mol, XLogP of 9.05, 8 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-amino-2-(hydroxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylbutan-2-ol;ethane;1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine;2-propyl-[1,3]thiazolo[4,5-c]quinolin-4-amine is sourced from PubChem (CID 145026392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).