tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline

C106H98ClF12N7O15 — CID 158591350

IUPACtetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESCCCCCCCCCc1nc2cc(C)ccc2nc1-c1ccc(C(F)(F)F)cc1.CCCCCCCCCc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1.CCOC(=O)C(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C(=O)O)cc1.Cc1ccc2c(c1)CC(=O)C(c1ccc(C(F)(F)F)cc1)=N2.Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)nc2c1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H29F3N2.C24H27F3N2.C17H12F3NO.C16H10ClF3N2.C11H12O3.C9H8O3.4CO2/c1-3-4-5-6-7-8-9-10-22-24(19-12-14-20(15-13-19)25(26,27)28)30-21-16-11-18(2)17-23(21)29-22;1-2-3-4-5-6-7-8-13-22-23(29-21-12-10-9-11-20(21)28-22)18-14-16-19(17-15-18)24(25,26)27;1-10-2-7-14-12(8-10)9-15(22)16(21-14)11-3-5-13(6-4-11)17(18,19)20;1-9-2-7-12-13(8-9)22-15(17)14(21-12)10-3-5-11(6-4-10)16(18,19)20;1-3-14-11(13)10(12)9-6-4-8(2)5-7-9;1-6-2-4-7(5-3-6)8(10)9(11)12;4*2-1-3/h11-17H,3-10H2,1-2H3;9-12,14-17H,2-8,13H2,1H3;2-8H,9H2,1H3;2-8H,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,11,12);;;;
InChIKeyHUMDCNKJHPIFIB-UHFFFAOYSA-N
MW1973.41 g/mol
LogP25.73
Rot. Bonds25

About tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline

tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 158591350) has the molecular formula C106H98ClF12N7O15 and a molecular weight of 1973.41 g/mol. Its IUPAC name is tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Nametetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID158591350
Molecular FormulaC106H98ClF12N7O15
Molecular Weight1973.41 g/mol
Exact Mass1971.66
IUPAC Nametetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESCCCCCCCCCc1nc2cc(C)ccc2nc1-c1ccc(C(F)(F)F)cc1.CCCCCCCCCc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1.CCOC(=O)C(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C(=O)O)cc1.Cc1ccc2c(c1)CC(=O)C(c1ccc(C(F)(F)F)cc1)=N2.Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)nc2c1.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H29F3N2.C24H27F3N2.C17H12F3NO.C16H10ClF3N2.C11H12O3.C9H8O3.4CO2/c1-3-4-5-6-7-8-9-10-22-24(19-12-14-20(15-13-19)25(26,27)28)30-21-16-11-18(2)17-23(21)29-22;1-2-3-4-5-6-7-8-13-22-23(29-21-12-10-9-11-20(21)28-22)18-14-16-19(17-15-18)24(25,26)27;1-10-2-7-14-12(8-10)9-15(22)16(21-14)11-3-5-13(6-4-11)17(18,19)20;1-9-2-7-12-13(8-9)22-15(17)14(21-12)10-3-5-11(6-4-10)16(18,19)20;1-3-14-11(13)10(12)9-6-4-8(2)5-7-9;1-6-2-4-7(5-3-6)8(10)9(11)12;4*2-1-3/h11-17H,3-10H2,1-2H3;9-12,14-17H,2-8,13H2,1H3;2-8H,9H2,1H3;2-8H,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,11,12);;;;
InChIKeyHUMDCNKJHPIFIB-UHFFFAOYSA-N
XLogP25.73
TPSA341.07 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001973.41
LogP ≤ 525.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline with MolForge

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Related Compounds

tetrakis(carbon dioxide);3-chloro-2-(3-fluorophenyl)-6-methylquinoxaline;ethyl 2-(3-fluorophenyl)-2-oxoacetate;2-(3-fluorophenyl)-6-methyl-3-nonylquinoxaline;2-(3-fluorophenyl)-6-methyl-4H-quinolin-3-one;2-(3-fluorophenyl)-3-nonylquinoxaline;2-(3-fluorophenyl)-2-oxoacetic acid
CID 158368652
3-chloro-2-(4-fluorophenyl)quinoxaline-6-carbonyl chloride;1-[3-chloro-2-(4-fluorophenyl)quinoxalin-6-yl]ethanone;2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylic acid;methyl 3,4-diaminobenzoate;methyl 2-(4-fluorophenyl)-2-oxoacetate;methyl 2-(4-fluorophenyl)-3-oxo-4H-quinoline-6-carboxylate;methyl 3-(4-fluorophenyl)-2-oxo-1H-quinoxaline-6-carboxylate
CID 162081731

Frequently Asked Questions

What is the IUPAC name of tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline (CID 158591350) is tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline is CCCCCCCCCc1nc2cc(C)ccc2nc1-c1ccc(C(F)(F)F)cc1.CCCCCCCCCc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1.CCOC(=O)C(=O)c1ccc(C)cc1.Cc1ccc(C(=O)C(=O)O)cc1.Cc1ccc2c(c1)CC(=O)C(c1ccc(C(F)(F)F)cc1)=N2.Cc1ccc2nc(-c3ccc(C(F)(F)F)cc3)c(Cl)nc2c1.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is HUMDCNKJHPIFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N2.C24H27F3N2.C17H12F3NO.C16H10ClF3N2.C11H12O3.C9H8O3.4CO2/c1-3-4-5-6-7-8-9-10-22-24(19-12-14-20(15-13-19)25(26,27)28)30-21-16-11-18(2)17-23(21)29-22;1-2-3-4-5-6-7-8-13-22-23(29-21-12-10-9-11-20(21)28-22)18-14-16-19(17-15-18)24(25,26)27;1-10-2-7-14-12(8-10)9-15(22)16(21-14)11-3-5-13(6-4-11)17(18,19)20;1-9-2-7-12-13(8-9)22-15(17)14(21-12)10-3-5-11(6-4-10)16(18,19)20;1-3-14-11(13)10(12)9-6-4-8(2)5-7-9;1-6-2-4-7(5-3-6)8(10)9(11)12;4*2-1-3/h11-17H,3-10H2,1-2H3;9-12,14-17H,2-8,13H2,1H3;2-8H,9H2,1H3;2-8H,1H3;4-7H,3H2,1-2H3;2-5H,1H3,(H,11,12);;;;.
What are the key properties of tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 1973.41 g/mol, XLogP of 25.73, 25 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(carbon dioxide);3-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;ethyl 2-(4-methylphenyl)-2-oxoacetate;6-methyl-3-nonyl-2-[4-(trifluoromethyl)phenyl]quinoxaline;2-(4-methylphenyl)-2-oxoacetic acid;6-methyl-2-[4-(trifluoromethyl)phenyl]-4H-quinolin-3-one;2-nonyl-3-[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 158591350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).