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

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 NameN,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 CID158684951
Molecular FormulaC60H68N8O3S
Molecular Weight981.32 g/mol
Exact Mass980.51
IUPAC NameN,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
XLogP10.90
TPSA92.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.32
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N,N-diethyl-4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]benzamide
CID 9913010
N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
CID 10299610
4-[[1-(furan-3-ylmethyl)piperidin-4-ylidene]-quinolin-8-ylmethyl]-N,N-di(propan-2-yl)benzamide
CID 10301006
4-Dibenzofuran-4-yl-6-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 146489592
diphenyl-(2-propan-2-ylphenyl)phosphane;N-[2,6-di(propan-2-yl)phenyl]-3-methylbutan-1-imine;1-methoxy-2-propan-2-ylbenzene;2-(2-methylpropyl)furan;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)thiophene;8-propan-2-ylquinoline;N,N,3-trimethylbutan-1-amine
CID 157500845
Methylcyclohexane;methylcyclopentane;2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-5-phenylthiophene;2-methylpyridine;3-methylpyridine;4-methylpyridine;7-methylquinoline;toluene;1,3,5-trimethylbenzene;1,3-xylene;1,4-xylene
CID 157850450
Cyclopenta-1,3-diene;ethane;furan;tris(1,2,3,4,5,6-hexamethylbenzene);naphthalene;pyridine;quinoline;thiophene
CID 157896634
N,N-diethyl-4-[piperazin-1-yl(quinolin-8-yl)methyl]benzamide;N,N-diethyl-4-[quinolin-8-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]benzamide;methane;thiophene-2-carbaldehyde
CID 157957961
5,10-Bis(furan-2-yl)benzo[g]quinoline;5,10-dinaphthalen-1-ylbenzo[g]quinoline;5,10-dinaphthalen-2-ylbenzo[g]quinoline;5,10-di(phenanthren-9-yl)benzo[g]quinoline;5,10-diphenylbenzo[g]quinoline;5,10-dithiophen-2-ylbenzo[g]quinoline
CID 158318106
2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene
CID 158411820
2-[2-[5-(furan-2-yl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(2-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-[5-(3-methylphenyl)-3H-pyrrol-2-yl]ethyl]quinoline;2-[2-(5-pyridin-4-yl-3H-pyrrol-2-yl)ethyl]quinoline;2-[2-(5-thiophen-3-yl-3H-pyrrol-2-yl)ethyl]quinoline
CID 158665714
1,10-Dimethylbenzo[h]quinolin-1-ium;1-methyl-2-(2-methyl-1-benzothiophen-3-yl)pyridin-1-ium;1-methyl-2-(2-methylfuran-3-yl)pyridin-1-ium;1-methyl-2-(2-methylnaphthalen-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-phenylpyridin-1-ium;1-methyl-2-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyridin-1-ium
CID 158686731

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).