Skip to content

Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate

C92H122N18O13S — CID 158116802

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACbis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate
SMILESCCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCNC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCNC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCOC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCSC(=O)CC
InChIInChI=1S/2C23H31N5O3.C23H30N4O4.C23H30N4O3S/c2*1-4-6-13-19-27-21-22(28(19)31-15-10-9-14-24-20(30)5-2)17-11-7-8-12-18(17)26-23(21)25-16(3)29;1-4-6-13-19-26-21-22(27(19)31-15-10-9-14-30-20(29)5-2)17-11-7-8-12-18(17)25-23(21)24-16(3)28;1-4-6-13-19-26-21-22(27(19)30-14-9-10-15-31-20(29)5-2)17-11-7-8-12-18(17)25-23(21)24-16(3)28/h2*7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,24,30)(H,25,26,29);2*7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,24,25,28)
InChIKeyFRCMGFOOELWLQU-UHFFFAOYSA-N
MW1720.17 g/mol
LogP16.05
Rot. Bonds44

About Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate

Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate (PubChem CID 158116802) has the molecular formula C92H122N18O13S and a molecular weight of 1720.17 g/mol. Its IUPAC name is bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate.

Molecular Properties

Compound NameBis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate
PubChem CID158116802
Molecular FormulaC92H122N18O13S
Molecular Weight1720.17 g/mol
Exact Mass1718.92
IUPAC Namebis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate
SMILESCCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCNC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCNC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCOC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCSC(=O)CC
InChIInChI=1S/2C23H31N5O3.C23H30N4O4.C23H30N4O3S/c2*1-4-6-13-19-27-21-22(28(19)31-15-10-9-14-24-20(30)5-2)17-11-7-8-12-18(17)26-23(21)25-16(3)29;1-4-6-13-19-26-21-22(27(19)31-15-10-9-14-30-20(29)5-2)17-11-7-8-12-18(17)25-23(21)24-16(3)28;1-4-6-13-19-26-21-22(27(19)30-14-9-10-15-31-20(29)5-2)17-11-7-8-12-18(17)25-23(21)24-16(3)28/h2*7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,24,30)(H,25,26,29);2*7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,24,25,28)
InChIKeyFRCMGFOOELWLQU-UHFFFAOYSA-N
XLogP16.05
TPSA377.73 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds44
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001720.17
LogP ≤ 516.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate?
The IUPAC name of Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate (CID 158116802) is bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate.
What is the SMILES notation for Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate?
The canonical SMILES for Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate is CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCNC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCNC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCOC(=O)CC.CCCCc1nc2c(NC(C)=O)nc3ccccc3c2n1OCCCCSC(=O)CC.
What is the InChIKey of Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate?
The InChIKey is FRCMGFOOELWLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H31N5O3.C23H30N4O4.C23H30N4O3S/c2*1-4-6-13-19-27-21-22(28(19)31-15-10-9-14-24-20(30)5-2)17-11-7-8-12-18(17)26-23(21)25-16(3)29;1-4-6-13-19-26-21-22(27(19)31-15-10-9-14-30-20(29)5-2)17-11-7-8-12-18(17)25-23(21)24-16(3)28;1-4-6-13-19-26-21-22(27(19)30-14-9-10-15-31-20(29)5-2)17-11-7-8-12-18(17)25-23(21)24-16(3)28/h2*7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,24,30)(H,25,26,29);2*7-8,11-12H,4-6,9-10,13-15H2,1-3H3,(H,24,25,28).
What are the key properties of Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate?
Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate has a molecular weight of 1720.17 g/mol, XLogP of 16.05, 44 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for Bis(N-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl]propanamide);S-[4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl] propanethioate;4-(4-acetamido-2-butylimidazo[4,5-c]quinolin-1-yl)oxybutyl propanoate is sourced from PubChem (CID 158116802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.