1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol

C35H44N8O5 — CID 146387108

IUPAC1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)nc3cccc(OC(C)CNc4nc5cccc(OCC(C)(C)O)c5c5c4nc(COCC)n5C)c3c2n1C
InChIInChI=1S/C35H44N8O5/c1-8-45-17-25-40-29-31(42(25)6)28-21(38-33(29)36)12-11-15-24(28)48-20(3)16-37-34-30-32(43(7)26(41-30)18-46-9-2)27-22(39-34)13-10-14-23(27)47-19-35(4,5)44/h10-15,20,44H,8-9,16-19H2,1-7H3,(H2,36,38)(H,37,39)
InChIKeyLZDNKWSGFBMDCF-UHFFFAOYSA-N
MW656.79 g/mol
LogP5.24
Rot. Bonds14

About 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol

1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol (PubChem CID 146387108) has the molecular formula C35H44N8O5 and a molecular weight of 656.79 g/mol. Its IUPAC name is 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol
PubChem CID146387108
Molecular FormulaC35H44N8O5
Molecular Weight656.79 g/mol
Exact Mass656.34
IUPAC Name1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol
SMILESCCOCc1nc2c(N)nc3cccc(OC(C)CNc4nc5cccc(OCC(C)(C)O)c5c5c4nc(COCC)n5C)c3c2n1C
InChIInChI=1S/C35H44N8O5/c1-8-45-17-25-40-29-31(42(25)6)28-21(38-33(29)36)12-11-15-24(28)48-20(3)16-37-34-30-32(43(7)26(41-30)18-46-9-2)27-22(39-34)13-10-14-23(27)47-19-35(4,5)44/h10-15,20,44H,8-9,16-19H2,1-7H3,(H2,36,38)(H,37,39)
InChIKeyLZDNKWSGFBMDCF-UHFFFAOYSA-N
XLogP5.24
TPSA156.62 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds14
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500656.79
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol (CID 146387108) is 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol is CCOCc1nc2c(N)nc3cccc(OC(C)CNc4nc5cccc(OCC(C)(C)O)c5c5c4nc(COCC)n5C)c3c2n1C.
What is the InChIKey of 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol?
The InChIKey is LZDNKWSGFBMDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H44N8O5/c1-8-45-17-25-40-29-31(42(25)6)28-21(38-33(29)36)12-11-15-24(28)48-20(3)16-37-34-30-32(43(7)26(41-30)18-46-9-2)27-22(39-34)13-10-14-23(27)47-19-35(4,5)44/h10-15,20,44H,8-9,16-19H2,1-7H3,(H2,36,38)(H,37,39).
What are the key properties of 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol?
1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol has a molecular weight of 656.79 g/mol, XLogP of 5.24, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropylamino]-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxy-2-methylpropan-2-ol is sourced from PubChem (CID 146387108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).