furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone

C26H24N4O5 — CID 10162368

IUPACfuran-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(OCc3ccccc3)c([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C26H24N4O5/c1-18-9-10-21-20(16-18)23(28-11-13-29(14-12-28)26(31)22-8-5-15-34-22)24(30(32)33)25(27-21)35-17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyUIUCUKABOKJLOG-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.59
Rot. Bonds6

About furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone

furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone (PubChem CID 10162368) has the molecular formula C26H24N4O5 and a molecular weight of 472.50 g/mol. Its IUPAC name is furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone
PubChem CID10162368
Molecular FormulaC26H24N4O5
Molecular Weight472.50 g/mol
Exact Mass472.17
IUPAC Namefuran-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone
SMILESCc1ccc2nc(OCc3ccccc3)c([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)c2c1
InChIInChI=1S/C26H24N4O5/c1-18-9-10-21-20(16-18)23(28-11-13-29(14-12-28)26(31)22-8-5-15-34-22)24(30(32)33)25(27-21)35-17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3
InChIKeyUIUCUKABOKJLOG-UHFFFAOYSA-N
XLogP4.59
TPSA101.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone 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

2-Furyl[4-(2-methylquinolin-4-yl)piperazino]methanone
CID 2728457
1-{4-Methylfuro[3,2-C]quinoline-2-carbonyl}-4-(4-nitrophenyl)piperazine
CID 24789614
(3R,4S)-1-(furan-2-carbonyl)-3-N-hydroxy-4-N-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]piperidine-3,4-dicarboxamide
CID 44357007
[4-(6-Ethoxy-2-methylquinolin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 44587213
[4-(Furan-2-carbonyl)-piperazin-1-yl]-(2-phenyl-quinolin-4-yl)-methanone
CID 1094196
2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-1-(8-methyl-1,2,3a,4,5,6-hexahydro-3H-pyrazino[3,2,1-jk]carbazol-3-yl)ethanone
CID 2876284
3-(furan-2-ylmethyl)-7,9-dimethyl-4H-[1,3]oxazino[6,5-b]quinolin-2-one
CID 70682993
(4-Ethoxy-2-(p-tolyl)quinolin-6-yl)(4-(furan-2-carbonyl)piperazin-1-yl)methanone
CID 20931925
N-(2-ethyl-3-methylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 1069117
N-(2-butyl-3-propylquinolin-4-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 2855124
Furan-2-yl-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
CID 3142697
Furan-2-yl-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]methanone
CID 4534723

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone (CID 10162368) is furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone is Cc1ccc2nc(OCc3ccccc3)c([N+](=O)[O-])c(N3CCN(C(=O)c4ccco4)CC3)c2c1.
What is the InChIKey of furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone?
The InChIKey is UIUCUKABOKJLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O5/c1-18-9-10-21-20(16-18)23(28-11-13-29(14-12-28)26(31)22-8-5-15-34-22)24(30(32)33)25(27-21)35-17-19-6-3-2-4-7-19/h2-10,15-16H,11-14,17H2,1H3.
What are the key properties of furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone?
furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone has a molecular weight of 472.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(6-methyl-3-nitro-2-phenylmethoxyquinolin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 10162368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).