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

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

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

Launch Full Analysis

Related Compounds

N-[5-[9-(furan-3-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
CID 73776205
[4-(3-Methoxybenzyl)piperazin-1-yl][6-methyl-2-(pyridin-4-yl)quinolin-4-yl]methanone
CID 1261545
N'-[3-(2-furyl)-2-methyl-2-propenylidene]-2-(4-pyridinyl)-4-quinolinecarbohydrazide
CID 9617636
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyrazin-2-yl-methyl]-benzamide
CID 44395510
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-quinolin-3-yl-methyl]-benzamide
CID 44395584
N-Ethyl-4-[(8-furan-3-ylmethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-pyridin-2-yl-methyl]-benzamide
CID 44395649
7-(Furan-3-yl)-4-[4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride
CID 44528836
7-(Furan-3-yl)-4-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]quinoline-3-carboxamide;hydrochloride
CID 44528838
[8-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]-(2-ethoxyphenyl)methanone
CID 44534235
(1-Methylindol-3-yl)-[4-(2-pyridin-3-yloxyethyl)piperazin-1-yl]methanone
CID 71724991
[2-(dimethylamino)phenyl]-[(2R,5R)-5-(8-fluoroquinolin-4-yl)oxy-2-methylpiperidin-1-yl]methanone
CID 118726315
N-[2-(diethylamino)ethyl]-2-(furan-3-yl)quinoline-4-carboxamide
CID 155560864

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).