N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide
C60H68N8O3S — CID 158684951
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1.CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccsc3)CC2)cc1
InChIInChI=1S/C30H34N4O2.C30H34N4OS/c2*1-3-33(4-2)30(35)26-12-10-25(11-13-26)29(27-9-5-7-24-8-6-15-31-28(24)27)34-18-16-32(17-19-34)21-23-14-20-36-22-23/h2*5-15,20,22,29H,3-4,16-19,21H2,1-2H3
InChIKeyIFPRRYYTNKJTTM-UHFFFAOYSA-N
MW981.32 g/mol
LogP10.90
Rot. Bonds16
About N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide
N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide (PubChem CID 158684951) has the molecular formula C60H68N8O3S and a molecular weight of 981.32 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide.
Molecular Properties
| Compound Name | N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide |
|---|---|
| PubChem CID | 158684951 |
| Molecular Formula | C60H68N8O3S |
| Molecular Weight | 981.32 g/mol |
| Exact Mass | 980.51 |
| IUPAC Name | N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide |
| SMILES | CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1.CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccsc3)CC2)cc1 |
| InChI | InChI=1S/C30H34N4O2.C30H34N4OS/c2*1-3-33(4-2)30(35)26-12-10-25(11-13-26)29(27-9-5-7-24-8-6-15-31-28(24)27)34-18-16-32(17-19-34)21-23-14-20-36-22-23/h2*5-15,20,22,29H,3-4,16-19,21H2,1-2H3 |
| InChIKey | IFPRRYYTNKJTTM-UHFFFAOYSA-N |
| XLogP | 10.90 |
| TPSA | 92.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 72 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 981.32 |
| LogP ≤ 5 | 10.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Frequently Asked Questions
What is the IUPAC name of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide (CID 158684951) is N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1.CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccsc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide?
The InChIKey is IFPRRYYTNKJTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2.C30H34N4OS/c2*1-3-33(4-2)30(35)26-12-10-25(11-13-26)29(27-9-5-7-24-8-6-15-31-28(24)27)34-18-16-32(17-19-34)21-23-14-20-36-22-23/h2*5-15,20,22,29H,3-4,16-19,21H2,1-2H3.
What are the key properties of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide?
N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide has a molecular weight of 981.32 g/mol, XLogP of 10.90, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]benzamide is sourced from PubChem (CID 158684951), 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
- PubChem CID 158684951 — identifiers, structure, computed properties (public domain)
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.