2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide

C30H34N4O2 — CID 174397199

IUPAC2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
SMILESCCc1c(C(N)=O)ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccco3)CC2)c1CC
InChIInChI=1S/C30H34N4O2/c1-3-23-24(4-2)26(30(31)35)13-12-25(23)29(27-11-5-8-21-9-6-14-32-28(21)27)34-17-15-33(16-18-34)20-22-10-7-19-36-22/h5-14,19,29H,3-4,15-18,20H2,1-2H3,(H2,31,35)
InChIKeyQHPBYICCYXITIY-UHFFFAOYSA-N
MW482.63 g/mol
LogP4.96
Rot. Bonds8

About 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide

2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide (PubChem CID 174397199) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide.

Molecular Properties

Compound Name2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
PubChem CID174397199
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide
SMILESCCc1c(C(N)=O)ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccco3)CC2)c1CC
InChIInChI=1S/C30H34N4O2/c1-3-23-24(4-2)26(30(31)35)13-12-25(23)29(27-11-5-8-21-9-6-14-32-28(21)27)34-17-15-33(16-18-34)20-22-10-7-19-36-22/h5-14,19,29H,3-4,15-18,20H2,1-2H3,(H2,31,35)
InChIKeyQHPBYICCYXITIY-UHFFFAOYSA-N
XLogP4.96
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
The IUPAC name of 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide (CID 174397199) is 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide.
What is the SMILES notation for 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
The canonical SMILES for 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide is CCc1c(C(N)=O)ccc(C(c2cccc3cccnc23)N2CCN(Cc3ccco3)CC2)c1CC.
What is the InChIKey of 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
The InChIKey is QHPBYICCYXITIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-3-23-24(4-2)26(30(31)35)13-12-25(23)29(27-11-5-8-21-9-6-14-32-28(21)27)34-17-15-33(16-18-34)20-22-10-7-19-36-22/h5-14,19,29H,3-4,15-18,20H2,1-2H3,(H2,31,35).
What are the key properties of 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide?
2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide has a molecular weight of 482.63 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-[[4-(furan-2-ylmethyl)piperazin-1-yl]-quinolin-8-ylmethyl]benzamide is sourced from PubChem (CID 174397199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).