methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine

C56H50ClF5N6O4 — CID 159809345

IUPACmethyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCOC(=O)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2nc(N3CCC(c4ccc(C)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.FC(F)(F)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C28H26FN3O2.C16H10ClFN2O2.C12H14F3N/c1-18-3-5-19(6-4-18)20-13-15-32(16-14-20)27-26(21-7-10-23(29)11-8-21)30-25-17-22(28(33)34-2)9-12-24(25)31-27;1-22-16(21)10-4-7-12-13(8-10)19-14(15(17)20-12)9-2-5-11(18)6-3-9;13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h3-12,17,20H,13-16H2,1-2H3;2-8H,1H3;1-4,10,16H,5-8H2
InChIKeyNKUYSXINQPJFLE-UHFFFAOYSA-N
MW1001.50 g/mol
LogP12.96
Rot. Bonds7

About methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine

methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine (PubChem CID 159809345) has the molecular formula C56H50ClF5N6O4 and a molecular weight of 1001.50 g/mol. Its IUPAC name is methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine.

Molecular Properties

Compound Namemethyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine
PubChem CID159809345
Molecular FormulaC56H50ClF5N6O4
Molecular Weight1001.50 g/mol
Exact Mass1000.35
IUPAC Namemethyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine
SMILESCOC(=O)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2nc(N3CCC(c4ccc(C)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.FC(F)(F)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C28H26FN3O2.C16H10ClFN2O2.C12H14F3N/c1-18-3-5-19(6-4-18)20-13-15-32(16-14-20)27-26(21-7-10-23(29)11-8-21)30-25-17-22(28(33)34-2)9-12-24(25)31-27;1-22-16(21)10-4-7-12-13(8-10)19-14(15(17)20-12)9-2-5-11(18)6-3-9;13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h3-12,17,20H,13-16H2,1-2H3;2-8H,1H3;1-4,10,16H,5-8H2
InChIKeyNKUYSXINQPJFLE-UHFFFAOYSA-N
XLogP12.96
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001001.50
LogP ≤ 512.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine with MolForge

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Related Compounds

Methyl 1,3,10,12-tetrazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-2,4(9),5,7,10,15,17,19-octaene-6-carboxylate
CID 162657114
Ethyl 2,3-bis(4-phenylpiperidin-1-yl)quinoxaline-6-carboxylate
CID 67041967
Methyl 2-phenyl-3-(4-(phenylamino)piperidin-1-yl)quinoxaline-6-carboxylate
CID 67041984
Methyl 2-phenyl-3-(4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)quinoxaline-6-carboxylate
CID 67041935
Methyl 2-phenyl-3-(4-(3-(trifluoromethyl)pyridin-2-yl)piperidin-1-yl)quinoxaline-6-carboxylate
CID 67041940
Methyl 2-(4-(4-chlorophenyl)piperidin-1-yl)-3-(4-fluorophenyl)quinoxaline-6-carboxylate
CID 67041966
Methyl 2-phenyl-3-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)quinoxaline-6-carboxylate
CID 67041981
Methyl 2-(4-(3-chlorophenyl)piperidin-1-yl)-3-(4-fluorophenyl)quinoxaline-6-carboxylate
CID 67041982
Methyl 3-(4-fluorophenyl)-2-(4-(4-(trifluoromethyl)phenyl)piperidin-1-yl)quinoxaline-6-carboxylate
CID 67041996
Methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate
CID 68062968
methyl 3-(5-fluoro-3,4-dihydro-2H-quinolin-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
CID 68194105
Methyl 3-(7-fluoro-1,2,3,4-tetrahydroquinolin-1-yl)-2-(4-fluorophenyl)quinoxaline-6-carboxylate
CID 68194240

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine?
The IUPAC name of methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine (CID 159809345) is methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine.
What is the SMILES notation for methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine?
The canonical SMILES for methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine is COC(=O)c1ccc2nc(Cl)c(-c3ccc(F)cc3)nc2c1.COC(=O)c1ccc2nc(N3CCC(c4ccc(C)cc4)CC3)c(-c3ccc(F)cc3)nc2c1.FC(F)(F)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine?
The InChIKey is NKUYSXINQPJFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O2.C16H10ClFN2O2.C12H14F3N/c1-18-3-5-19(6-4-18)20-13-15-32(16-14-20)27-26(21-7-10-23(29)11-8-21)30-25-17-22(28(33)34-2)9-12-24(25)31-27;1-22-16(21)10-4-7-12-13(8-10)19-14(15(17)20-12)9-2-5-11(18)6-3-9;13-12(14,15)11-3-1-9(2-4-11)10-5-7-16-8-6-10/h3-12,17,20H,13-16H2,1-2H3;2-8H,1H3;1-4,10,16H,5-8H2.
What are the key properties of methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine?
methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine has a molecular weight of 1001.50 g/mol, XLogP of 12.96, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-(4-fluorophenyl)quinoxaline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-[4-(4-methylphenyl)piperidin-1-yl]quinoxaline-6-carboxylate;4-[4-(trifluoromethyl)phenyl]piperidine is sourced from PubChem (CID 159809345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).