[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate

C25H29N5O3 — CID 67227981

IUPAC[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1cccc(OC(C)=O)c1
InChIInChI=1S/C25H29N5O3/c1-17(31)33-19-8-5-7-18(15-19)16-27-12-6-13-30-22(11-14-32-2)29-23-24(30)20-9-3-4-10-21(20)28-25(23)26/h3-5,7-10,15,27H,6,11-14,16H2,1-2H3,(H2,26,28)
InChIKeyADIHHYZQEJGVMF-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.46
Rot. Bonds10

About [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate

[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate (PubChem CID 67227981) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate.

Molecular Properties

Compound Name[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate
PubChem CID67227981
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC Name[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate
SMILESCOCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1cccc(OC(C)=O)c1
InChIInChI=1S/C25H29N5O3/c1-17(31)33-19-8-5-7-18(15-19)16-27-12-6-13-30-22(11-14-32-2)29-23-24(30)20-9-3-4-10-21(20)28-25(23)26/h3-5,7-10,15,27H,6,11-14,16H2,1-2H3,(H2,26,28)
InChIKeyADIHHYZQEJGVMF-UHFFFAOYSA-N
XLogP3.46
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethylamino]methyl]phenoxy]-3-methylbutan-2-one
CID 58294735
2-[3-[[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethylamino]methyl]phenoxy]-2-methylpropanoic acid
CID 67227454
methyl 2-[4-[[3-(4-amino-2-butylimidazo[4,5-c]quinolin-1-yl)propylamino]methyl]phenyl]acetate
CID 25106601
ethyl 2-[3-[[3-[4-amino-2-(propoxymethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenoxy]-2-methylpropanoate
CID 67222607
N-[2-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]ethyl]-2-chloro-N-[[3-(2-oxopropoxy)phenyl]methyl]acetamide
CID 58294728
3-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]quinoline-2-carboxamide
CID 68818570
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-pyridin-3-ylthiourea
CID 23497578
2-[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl-[2-[ethyl(methyl)amino]acetyl]amino]methyl]phenoxy]acetic acid
CID 67227404
ethyl 1-[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propyl-(2-chloroacetyl)amino]methyl]phenoxy]cyclobutane-1-carboxylate
CID 58294700
1-[4-(benzylamino)butyl]-2-(ethoxymethyl)imidazo[4,5-c]quinolin-4-amine
CID 67519559
1-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-3-[3-(trifluoromethyl)phenyl]urea;molecular hydrogen
CID 162183695
N'-[4-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]butyl]-N,N-dimethyl-N'-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methyl]ethane-1,2-diamine;carbon dioxide
CID 159860879

Frequently Asked Questions

What is the IUPAC name of [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate?
The IUPAC name of [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate (CID 67227981) is [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate.
What is the SMILES notation for [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate?
The canonical SMILES for [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate is COCCc1nc2c(N)nc3ccccc3c2n1CCCNCc1cccc(OC(C)=O)c1.
What is the InChIKey of [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate?
The InChIKey is ADIHHYZQEJGVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-17(31)33-19-8-5-7-18(15-19)16-27-12-6-13-30-22(11-14-32-2)29-23-24(30)20-9-3-4-10-21(20)28-25(23)26/h3-5,7-10,15,27H,6,11-14,16H2,1-2H3,(H2,26,28).
What are the key properties of [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate?
[3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate has a molecular weight of 447.54 g/mol, XLogP of 3.46, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[4-amino-2-(2-methoxyethyl)imidazo[4,5-c]quinolin-1-yl]propylamino]methyl]phenyl] acetate is sourced from PubChem (CID 67227981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).