3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline

C67H60F3N13O — CID 160602517

IUPAC3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline
SMILESCOc1ccccc1N1CCN(c2cnc3cc4ccccc4cc3n2)CC1.FC(F)(F)c1cccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)c1.c1ccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1
InChIInChI=1S/C23H19F3N4.C23H22N4O.C21H19N5/c24-23(25,26)18-6-3-7-19(14-18)29-8-10-30(11-9-29)22-15-27-20-12-16-4-1-2-5-17(16)13-21(20)28-22;1-28-22-9-5-4-8-21(22)26-10-12-27(13-11-26)23-16-24-19-14-17-6-2-3-7-18(17)15-20(19)25-23;1-2-6-17-14-19-18(13-16(17)5-1)23-15-21(24-19)26-11-9-25(10-12-26)20-7-3-4-8-22-20/h1-7,12-15H,8-11H2;2-9,14-16H,10-13H2,1H3;1-8,13-15H,9-12H2
InChIKeyRELVDZSEBACUNY-UHFFFAOYSA-N
MW1120.30 g/mol
LogP12.75
Rot. Bonds7

About 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline

3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline (PubChem CID 160602517) has the molecular formula C67H60F3N13O and a molecular weight of 1120.30 g/mol. Its IUPAC name is 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline.

Molecular Properties

Compound Name3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline
PubChem CID160602517
Molecular FormulaC67H60F3N13O
Molecular Weight1120.30 g/mol
Exact Mass1119.50
IUPAC Name3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline
SMILESCOc1ccccc1N1CCN(c2cnc3cc4ccccc4cc3n2)CC1.FC(F)(F)c1cccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)c1.c1ccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1
InChIInChI=1S/C23H19F3N4.C23H22N4O.C21H19N5/c24-23(25,26)18-6-3-7-19(14-18)29-8-10-30(11-9-29)22-15-27-20-12-16-4-1-2-5-17(16)13-21(20)28-22;1-28-22-9-5-4-8-21(22)26-10-12-27(13-11-26)23-16-24-19-14-17-6-2-3-7-18(17)15-20(19)25-23;1-2-6-17-14-19-18(13-16(17)5-1)23-15-21(24-19)26-11-9-25(10-12-26)20-7-3-4-8-22-20/h1-7,12-15H,8-11H2;2-9,14-16H,10-13H2,1H3;1-8,13-15H,9-12H2
InChIKeyRELVDZSEBACUNY-UHFFFAOYSA-N
XLogP12.75
TPSA118.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001120.30
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline with MolForge

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]pteridin-4-amine
CID 16820903
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-6-(2-naphthyl)pyrazine
CID 6482733
4-[7-[4-(Trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
CID 51042687
7-(3-Phenylphenyl)-2-piperidin-1-ylquinoxaline;2-piperidin-1-yl-7-[2-(trifluoromethoxy)phenyl]quinoxaline
CID 67035107
4-[7-(3-Phenylphenyl)quinoxalin-2-yl]morpholine;4-[7-[2-(trifluoromethoxy)phenyl]quinoxalin-2-yl]morpholine
CID 67035225
N-[3-fluoro-2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-4-[2-[4-[3-(pyridin-2-ylamino)propyl]piperazin-1-yl]phenoxy]butyl]quinolin-2-amine
CID 123444608
2,3-Bis[[4-[1-[2-(trifluoromethoxy)phenyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]methyl]quinoxaline
CID 131991135
10-[2,3-Bis(4-fluorophenyl)pyrido[3,4-b]pyrazin-5-yl]phenoxazine
CID 134578894
4-[3-[4-(2-Phenylethyl)piperazin-1-yl]quinoxalin-6-yl]phenol;4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenol;4-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-6-yl]phenol
CID 136452791
10-[6-(9,9-Dimethyl-4a,9a-dihydroacridin-10-yl)-3-fluoro-2-isocyanopyrazino[2,3-f][1,10]phenanthrolin-10-yl]-1,2-dihydrophenoxazine
CID 140782776
6-(9,9-Dimethylacridin-10-yl)-3-fluoro-10-phenoxazin-10-ylpyrazino[2,3-f][1,10]phenanthroline-2-carbonitrile
CID 144946714
N-(1,4-dimethylnaphthalen-2-yl)-5-(trifluoromethyl)pyridin-2-amine;N-[2-methyl-4-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-pyrazin-2-ylquinolin-3-amine;N-pyridin-3-ylquinolin-3-amine;N-pyridin-4-ylquinolin-3-amine;N-[2-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[3-(trifluoromethoxy)phenyl]quinoxalin-2-amine;N-[4-(trifluoromethoxy)phenyl]quinoxalin-2-amine
CID 157465784

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline?
The IUPAC name of 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline (CID 160602517) is 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline.
What is the SMILES notation for 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline?
The canonical SMILES for 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline is COc1ccccc1N1CCN(c2cnc3cc4ccccc4cc3n2)CC1.FC(F)(F)c1cccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)c1.c1ccc(N2CCN(c3cnc4cc5ccccc5cc4n3)CC2)nc1.
What is the InChIKey of 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline?
The InChIKey is RELVDZSEBACUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4.C23H22N4O.C21H19N5/c24-23(25,26)18-6-3-7-19(14-18)29-8-10-30(11-9-29)22-15-27-20-12-16-4-1-2-5-17(16)13-21(20)28-22;1-28-22-9-5-4-8-21(22)26-10-12-27(13-11-26)23-16-24-19-14-17-6-2-3-7-18(17)15-20(19)25-23;1-2-6-17-14-19-18(13-16(17)5-1)23-15-21(24-19)26-11-9-25(10-12-26)20-7-3-4-8-22-20/h1-7,12-15H,8-11H2;2-9,14-16H,10-13H2,1H3;1-8,13-15H,9-12H2.
What are the key properties of 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline?
3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline has a molecular weight of 1120.30 g/mol, XLogP of 12.75, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyphenyl)piperazin-1-yl]benzo[g]quinoxaline;3-(4-pyridin-2-ylpiperazin-1-yl)benzo[g]quinoxaline;3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzo[g]quinoxaline is sourced from PubChem (CID 160602517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).