2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol

C21H22N4O2 — CID 153143132

IUPAC2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cc(O)ccc1O
InChIInChI=1S/C21H22N4O2/c1-2-3-8-18-24-19-20(15-6-4-5-7-16(15)23-21(19)22)25(18)12-13-11-14(26)9-10-17(13)27/h4-7,9-11,26-27H,2-3,8,12H2,1H3,(H2,22,23)
InChIKeyVYZQSUXCKWAHLG-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.97
Rot. Bonds5

About 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol

2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol (PubChem CID 153143132) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
PubChem CID153143132
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cc(O)ccc1O
InChIInChI=1S/C21H22N4O2/c1-2-3-8-18-24-19-20(15-6-4-5-7-16(15)23-21(19)22)25(18)12-13-11-14(26)9-10-17(13)27/h4-7,9-11,26-27H,2-3,8,12H2,1H3,(H2,22,23)
InChIKeyVYZQSUXCKWAHLG-UHFFFAOYSA-N
XLogP3.97
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]-1-bromobutan-2-one
CID 158055090
N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]formamide;ethane;propane
CID 153388831
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
N-[[5-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl]methyl]prop-2-ynamide
CID 152913415
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
1-[2-[2-[4-amino-2-butyl-1-[(2,5-dihydroxyphenyl)methyl]imidazo[4,5-c]quinolin-8-yl]ethoxy]ethyl]pyrrole-2,5-dione
CID 158109982
[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite
CID 153388956
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
2-[[4-amino-2-butyl-8-[3-(3-isocyanatopropoxy)propyl]imidazo[4,5-c]quinolin-1-yl]methyl]benzene-1,4-diol
CID 162016607
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 147028427

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol?
The IUPAC name of 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol (CID 153143132) is 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol?
The canonical SMILES for 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cc(O)ccc1O.
What is the InChIKey of 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol?
The InChIKey is VYZQSUXCKWAHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-2-3-8-18-24-19-20(15-6-4-5-7-16(15)23-21(19)22)25(18)12-13-11-14(26)9-10-17(13)27/h4-7,9-11,26-27H,2-3,8,12H2,1H3,(H2,22,23).
What are the key properties of 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol?
2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol has a molecular weight of 362.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol is sourced from PubChem (CID 153143132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).