N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid

C135H127Cl2N13O19 — CID 158024303

IUPACN-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid
SMILESCC(=O)c1ccc(N)c([N+](=O)[O-])c1.CC(=O)c1ccc(NC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c1.CC(=O)c1ccc2c(c1)N=C(c1ccccc1)C(=O)C2.CC(=O)c1ccc2nc(CCCCCCC(C)(C)C)c(-c3ccccc3)nc2c1.CC(=O)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.CC(C)(C)OC(=O)CCCCc1nc2ccc(C(=O)O)cc2nc1-c1ccccc1.O=C(O)CCCCc1nc2ccc(C(=O)CCc3cccc(Cl)c3)cc2nc1-c1ccccc1
InChIInChI=1S/C28H25ClN2O3.C26H32N2O.C24H26N2O4.C17H13NO2.C16H11ClN2O.C16H12N2O5.C8H8N2O3/c29-22-10-6-7-19(17-22)13-16-26(32)21-14-15-23-25(18-21)31-28(20-8-2-1-3-9-20)24(30-23)11-4-5-12-27(33)34;1-19(29)21-15-16-22-24(18-21)28-25(20-12-8-7-9-13-20)23(27-22)14-10-5-6-11-17-26(2,3)4;1-24(2,3)30-21(27)12-8-7-11-19-22(16-9-5-4-6-10-16)26-20-15-17(23(28)29)13-14-18(20)25-19;1-11(19)13-7-8-14-10-16(20)17(18-15(14)9-13)12-5-3-2-4-6-12;1-10(20)12-7-8-13-14(9-12)18-15(16(17)19-13)11-5-3-2-4-6-11;1-10(19)12-7-8-13(14(9-12)18(22)23)17-16(21)15(20)11-5-3-2-4-6-11;1-5(11)6-2-3-7(9)8(4-6)10(12)13/h1-3,6-10,14-15,17-18H,4-5,11-13,16H2,(H,33,34);7-9,12-13,15-16,18H,5-6,10-11,14,17H2,1-4H3;4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,29);2-9H,10H2,1H3;2-9H,1H3;2-9H,1H3,(H,17,21);2-4H,9H2,1H3
InChIKeyFGKRPCDECDALFM-UHFFFAOYSA-N
MW2306.48 g/mol
LogP29.94
Rot. Bonds36

About N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid

N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid (PubChem CID 158024303) has the molecular formula C135H127Cl2N13O19 and a molecular weight of 2306.48 g/mol. Its IUPAC name is N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid.

Molecular Properties

Compound NameN-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid
PubChem CID158024303
Molecular FormulaC135H127Cl2N13O19
Molecular Weight2306.48 g/mol
Exact Mass2303.87
IUPAC NameN-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid
SMILESCC(=O)c1ccc(N)c([N+](=O)[O-])c1.CC(=O)c1ccc(NC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c1.CC(=O)c1ccc2c(c1)N=C(c1ccccc1)C(=O)C2.CC(=O)c1ccc2nc(CCCCCCC(C)(C)C)c(-c3ccccc3)nc2c1.CC(=O)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.CC(C)(C)OC(=O)CCCCc1nc2ccc(C(=O)O)cc2nc1-c1ccccc1.O=C(O)CCCCc1nc2ccc(C(=O)CCc3cccc(Cl)c3)cc2nc1-c1ccccc1
InChIInChI=1S/C28H25ClN2O3.C26H32N2O.C24H26N2O4.C17H13NO2.C16H11ClN2O.C16H12N2O5.C8H8N2O3/c29-22-10-6-7-19(17-22)13-16-26(32)21-14-15-23-25(18-21)31-28(20-8-2-1-3-9-20)24(30-23)11-4-5-12-27(33)34;1-19(29)21-15-16-22-24(18-21)28-25(20-12-8-7-9-13-20)23(27-22)14-10-5-6-11-17-26(2,3)4;1-24(2,3)30-21(27)12-8-7-11-19-22(16-9-5-4-6-10-16)26-20-15-17(23(28)29)13-14-18(20)25-19;1-11(19)13-7-8-14-10-16(20)17(18-15(14)9-13)12-5-3-2-4-6-12;1-10(20)12-7-8-13-14(9-12)18-15(16(17)19-13)11-5-3-2-4-6-11;1-10(19)12-7-8-13(14(9-12)18(22)23)17-16(21)15(20)11-5-3-2-4-6-11;1-5(11)6-2-3-7(9)8(4-6)10(12)13/h1-3,6-10,14-15,17-18H,4-5,11-13,16H2,(H,33,34);7-9,12-13,15-16,18H,5-6,10-11,14,17H2,1-4H3;4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,29);2-9H,10H2,1H3;2-9H,1H3;2-9H,1H3,(H,17,21);2-4H,9H2,1H3
InChIKeyFGKRPCDECDALFM-UHFFFAOYSA-N
XLogP29.94
TPSA494.34 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds36
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002306.48
LogP ≤ 529.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-amino-2-phenylacetic acid;4-fluoro-3-nitrobenzoic acid;methyl 2-amino-2-phenylacetate;methyl 3-chloro-2-phenylquinoxaline-6-carboxylate;methyl 4-fluoro-3-nitrobenzoate;methyl 4-[(2-methoxy-2-oxo-1-phenylethyl)amino]-3-nitrobenzoate;methyl 3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-2,4-dihydro-1H-quinoline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoline-6-carboxylate;3-(4-methylphenyl)-2-phenylquinoxaline-6-carboxylic acid;[4-(trifluoromethyl)phenyl]boronic acid;hydrochloride
CID 158134907

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid?
The IUPAC name of N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid (CID 158024303) is N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid.
What is the SMILES notation for N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid?
The canonical SMILES for N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid is CC(=O)c1ccc(N)c([N+](=O)[O-])c1.CC(=O)c1ccc(NC(=O)C(=O)c2ccccc2)c([N+](=O)[O-])c1.CC(=O)c1ccc2c(c1)N=C(c1ccccc1)C(=O)C2.CC(=O)c1ccc2nc(CCCCCCC(C)(C)C)c(-c3ccccc3)nc2c1.CC(=O)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.CC(C)(C)OC(=O)CCCCc1nc2ccc(C(=O)O)cc2nc1-c1ccccc1.O=C(O)CCCCc1nc2ccc(C(=O)CCc3cccc(Cl)c3)cc2nc1-c1ccccc1.
What is the InChIKey of N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid?
The InChIKey is FGKRPCDECDALFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClN2O3.C26H32N2O.C24H26N2O4.C17H13NO2.C16H11ClN2O.C16H12N2O5.C8H8N2O3/c29-22-10-6-7-19(17-22)13-16-26(32)21-14-15-23-25(18-21)31-28(20-8-2-1-3-9-20)24(30-23)11-4-5-12-27(33)34;1-19(29)21-15-16-22-24(18-21)28-25(20-12-8-7-9-13-20)23(27-22)14-10-5-6-11-17-26(2,3)4;1-24(2,3)30-21(27)12-8-7-11-19-22(16-9-5-4-6-10-16)26-20-15-17(23(28)29)13-14-18(20)25-19;1-11(19)13-7-8-14-10-16(20)17(18-15(14)9-13)12-5-3-2-4-6-12;1-10(20)12-7-8-13-14(9-12)18-15(16(17)19-13)11-5-3-2-4-6-11;1-10(19)12-7-8-13(14(9-12)18(22)23)17-16(21)15(20)11-5-3-2-4-6-11;1-5(11)6-2-3-7(9)8(4-6)10(12)13/h1-3,6-10,14-15,17-18H,4-5,11-13,16H2,(H,33,34);7-9,12-13,15-16,18H,5-6,10-11,14,17H2,1-4H3;4-6,9-10,13-15H,7-8,11-12H2,1-3H3,(H,28,29);2-9H,10H2,1H3;2-9H,1H3;2-9H,1H3,(H,17,21);2-4H,9H2,1H3.
What are the key properties of N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid?
N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid has a molecular weight of 2306.48 g/mol, XLogP of 29.94, 36 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-2-nitrophenyl)-2-oxo-2-phenylacetamide;7-acetyl-2-phenyl-4H-quinolin-3-one;1-(4-amino-3-nitrophenyl)ethanone;5-[6-[3-(3-chlorophenyl)propanoyl]-3-phenylquinoxalin-2-yl]pentanoic acid;1-(2-chloro-3-phenylquinoxalin-6-yl)ethanone;1-[2-(7,7-dimethyloctyl)-3-phenylquinoxalin-6-yl]ethanone;2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-3-phenylquinoxaline-6-carboxylic acid is sourced from PubChem (CID 158024303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).