N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide

C30H34N4O2 — CID 10299610

IUPACN,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-3-33(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/h5-15,20,22,29H,3-4,16-19,21H2,1-2H3
InChIKeyRWPUPFUQBNXOTM-UHFFFAOYSA-N
MW482.63 g/mol
LogP5.22
Rot. Bonds8

About N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide

N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide (PubChem CID 10299610) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
PubChem CID10299610
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC NameN,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-3-33(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/h5-15,20,22,29H,3-4,16-19,21H2,1-2H3
InChIKeyRWPUPFUQBNXOTM-UHFFFAOYSA-N
XLogP5.22
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.63
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
The IUPAC name of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide (CID 10299610) is N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide is CCN(CC)C(=O)c1ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccoc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
The InChIKey is RWPUPFUQBNXOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-3-33(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/h5-15,20,22,29H,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-[[4-(furan-3-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 5 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 is sourced from PubChem (CID 10299610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).