[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite

C21H24N4O6P2 — CID 153388956

IUPAC[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cc(OP(O)O)ccc1OP(O)O
InChIInChI=1S/C21H24N4O6P2/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(30-32(26)27)9-10-17(13)31-33(28)29/h4-7,9-11,26-29H,2-3,8,12H2,1H3,(H2,22,23)
InChIKeyJFUCXFMPZMZKLC-UHFFFAOYSA-N
MW490.39 g/mol
LogP3.74
Rot. Bonds9

About [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite

[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite (PubChem CID 153388956) has the molecular formula C21H24N4O6P2 and a molecular weight of 490.39 g/mol. Its IUPAC name is [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite
PubChem CID153388956
Molecular FormulaC21H24N4O6P2
Molecular Weight490.39 g/mol
Exact Mass490.12
IUPAC Name[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite
SMILESCCCCc1nc2c(N)nc3ccccc3c2n1Cc1cc(OP(O)O)ccc1OP(O)O
InChIInChI=1S/C21H24N4O6P2/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(30-32(26)27)9-10-17(13)31-33(28)29/h4-7,9-11,26-29H,2-3,8,12H2,1H3,(H2,22,23)
InChIKeyJFUCXFMPZMZKLC-UHFFFAOYSA-N
XLogP3.74
TPSA156.11 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 53.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]benzene-1,4-diol
CID 153143132
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
2-butyl-1-[(4-ethylphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 134510359
2-butyl-1-(furan-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376202
2-butyl-1-hexylimidazo[4,5-c]quinolin-4-amine
CID 157447950
[3-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 147028427
2-butyl-1-(pyridin-3-ylmethyl)imidazo[4,5-c]quinolin-4-amine
CID 177376197
1-(2-methylpropyl)-2-pentylimidazo[4,5-c]quinolin-4-amine
CID 11185992
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
[4-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)butylamino]methanol
CID 138457331
2-heptyl-1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine
CID 11739260

Frequently Asked Questions

What is the IUPAC name of [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite?
The IUPAC name of [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite (CID 153388956) is [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite.
What is the SMILES notation for [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite?
The canonical SMILES for [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite is CCCCc1nc2c(N)nc3ccccc3c2n1Cc1cc(OP(O)O)ccc1OP(O)O.
What is the InChIKey of [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite?
The InChIKey is JFUCXFMPZMZKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6P2/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(30-32(26)27)9-10-17(13)31-33(28)29/h4-7,9-11,26-29H,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]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite?
[2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite has a molecular weight of 490.39 g/mol, XLogP of 3.74, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)methyl]-4-dihydroxyphosphanyloxyphenyl] dihydrogen phosphite is sourced from PubChem (CID 153388956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).