1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

C171H157B3Cl4N26O28 — CID 158419887

IUPAC1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESCB1OB(C)OB(C)O1.CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.COC(=O)C(=O)c1ccccc1.COC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1.COC(=O)c1ccc2c(c1)nc(-c1ccccc1)c(=O)n2Cc1ccc(OC)cc1.COc1ccc(CNc2ccc(C(C)=O)cc2N)cc1.COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1.Cc1nc2ccc(C(=O)NCCCn3ccnc3)cc2nc1-c1ccccc1.NCCCn1ccnc1.O=C(Cl)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.O=C(NCCCn1ccnc1)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.O=C(O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H20N2O4.C22H21N5O.C21H18ClN5O.C16H16N2O4.C16H12N2O3.C16H18N2O2.C15H8Cl2N2O.C15H10N2O3.C9H8O3.C8H6ClNO3.C6H11N3.C3H9B3O3/c1-29-19-11-8-16(9-12-19)15-26-21-13-10-18(24(28)30-2)14-20(21)25-22(23(26)27)17-6-4-3-5-7-17;1-16-21(17-6-3-2-4-7-17)26-20-14-18(8-9-19(20)25-16)22(28)24-10-5-12-27-13-11-23-15-27;22-20-19(15-5-2-1-3-6-15)25-18-13-16(7-8-17(18)26-20)21(28)24-9-4-11-27-12-10-23-14-27;1-11(19)13-5-8-15(16(9-13)18(20)21)17-10-12-3-6-14(22-2)7-4-12;1-21-16(20)11-7-8-12-13(9-11)17-14(15(19)18-12)10-5-3-2-4-6-10;1-11(19)13-5-8-16(15(17)9-13)18-10-12-3-6-14(20-2)7-4-12;16-14-13(9-4-2-1-3-5-9)18-12-8-10(15(17)20)6-7-11(12)19-14;18-14-13(9-4-2-1-3-5-9)16-12-8-10(15(19)20)6-7-11(12)17-14;1-12-9(11)8(10)7-5-3-2-4-6-7;1-5(11)6-2-3-7(9)8(4-6)10(12)13;7-2-1-4-9-5-3-8-6-9;1-4-7-5(2)9-6(3)8-4/h3-14H,15H2,1-2H3;2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,24,28);1-3,5-8,10,12-14H,4,9,11H2,(H,24,28);3-9,17H,10H2,1-2H3;2-9H,1H3,(H,18,19);3-9,18H,10,17H2,1-2H3;1-8H;1-8H,(H,17,18)(H,19,20);2-6H,1H3;2-4H,1H3;3,5-6H,1-2,4,7H2;1-3H3
InChIKeyHAJAMZCHJONSDT-UHFFFAOYSA-N
MW3198.54 g/mol
LogP31.13
Rot. Bonds41

About 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane

1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (PubChem CID 158419887) has the molecular formula C171H157B3Cl4N26O28 and a molecular weight of 3198.54 g/mol. Its IUPAC name is 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

Compound Name1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
PubChem CID158419887
Molecular FormulaC171H157B3Cl4N26O28
Molecular Weight3198.54 g/mol
Exact Mass3195.07
IUPAC Name1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane
SMILESCB1OB(C)OB(C)O1.CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.COC(=O)C(=O)c1ccccc1.COC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1.COC(=O)c1ccc2c(c1)nc(-c1ccccc1)c(=O)n2Cc1ccc(OC)cc1.COc1ccc(CNc2ccc(C(C)=O)cc2N)cc1.COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1.Cc1nc2ccc(C(=O)NCCCn3ccnc3)cc2nc1-c1ccccc1.NCCCn1ccnc1.O=C(Cl)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.O=C(NCCCn1ccnc1)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.O=C(O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1
InChIInChI=1S/C24H20N2O4.C22H21N5O.C21H18ClN5O.C16H16N2O4.C16H12N2O3.C16H18N2O2.C15H8Cl2N2O.C15H10N2O3.C9H8O3.C8H6ClNO3.C6H11N3.C3H9B3O3/c1-29-19-11-8-16(9-12-19)15-26-21-13-10-18(24(28)30-2)14-20(21)25-22(23(26)27)17-6-4-3-5-7-17;1-16-21(17-6-3-2-4-7-17)26-20-14-18(8-9-19(20)25-16)22(28)24-10-5-12-27-13-11-23-15-27;22-20-19(15-5-2-1-3-6-15)25-18-13-16(7-8-17(18)26-20)21(28)24-9-4-11-27-12-10-23-14-27;1-11(19)13-5-8-15(16(9-13)18(20)21)17-10-12-3-6-14(22-2)7-4-12;1-21-16(20)11-7-8-12-13(9-11)17-14(15(19)18-12)10-5-3-2-4-6-10;1-11(19)13-5-8-16(15(17)9-13)18-10-12-3-6-14(20-2)7-4-12;16-14-13(9-4-2-1-3-5-9)18-12-8-10(15(17)20)6-7-11(12)19-14;18-14-13(9-4-2-1-3-5-9)16-12-8-10(15(19)20)6-7-11(12)17-14;1-12-9(11)8(10)7-5-3-2-4-6-7;1-5(11)6-2-3-7(9)8(4-6)10(12)13;7-2-1-4-9-5-3-8-6-9;1-4-7-5(2)9-6(3)8-4/h3-14H,15H2,1-2H3;2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,24,28);1-3,5-8,10,12-14H,4,9,11H2,(H,24,28);3-9,17H,10H2,1-2H3;2-9H,1H3,(H,18,19);3-9,18H,10,17H2,1-2H3;1-8H;1-8H,(H,17,18)(H,19,20);2-6H,1H3;2-4H,1H3;3,5-6H,1-2,4,7H2;1-3H3
InChIKeyHAJAMZCHJONSDT-UHFFFAOYSA-N
XLogP31.13
TPSA734.70 Ų
H-Bond Donors9
H-Bond Acceptors47
Rotatable Bonds41
Heavy Atoms232
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003198.54
LogP ≤ 531.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane with MolForge

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Launch Full Analysis

Related Compounds

2-(Chloromethyl)-4-methoxy-3,5-dimethylpyridine;4-fluoro-3-nitrobenzoic acid;methanamine;2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylic acid;methyl 3-amino-4-(methylamino)benzoate;methyl 2-amino-1-methylbenzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate;methyl 2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl-methylamino]-1-methylbenzimidazole-5-carboxylate;methyl 4-(methylamino)-3-nitrobenzoate
CID 167616319

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The IUPAC name of 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane (CID 158419887) is 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane.
What is the SMILES notation for 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The canonical SMILES for 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is CB1OB(C)OB(C)O1.CC(=O)c1ccc(Cl)c([N+](=O)[O-])c1.COC(=O)C(=O)c1ccccc1.COC(=O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1.COC(=O)c1ccc2c(c1)nc(-c1ccccc1)c(=O)n2Cc1ccc(OC)cc1.COc1ccc(CNc2ccc(C(C)=O)cc2N)cc1.COc1ccc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])cc1.Cc1nc2ccc(C(=O)NCCCn3ccnc3)cc2nc1-c1ccccc1.NCCCn1ccnc1.O=C(Cl)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.O=C(NCCCn1ccnc1)c1ccc2nc(Cl)c(-c3ccccc3)nc2c1.O=C(O)c1ccc2[nH]c(=O)c(-c3ccccc3)nc2c1.
What is the InChIKey of 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
The InChIKey is HAJAMZCHJONSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4.C22H21N5O.C21H18ClN5O.C16H16N2O4.C16H12N2O3.C16H18N2O2.C15H8Cl2N2O.C15H10N2O3.C9H8O3.C8H6ClNO3.C6H11N3.C3H9B3O3/c1-29-19-11-8-16(9-12-19)15-26-21-13-10-18(24(28)30-2)14-20(21)25-22(23(26)27)17-6-4-3-5-7-17;1-16-21(17-6-3-2-4-7-17)26-20-14-18(8-9-19(20)25-16)22(28)24-10-5-12-27-13-11-23-15-27;22-20-19(15-5-2-1-3-6-15)25-18-13-16(7-8-17(18)26-20)21(28)24-9-4-11-27-12-10-23-14-27;1-11(19)13-5-8-15(16(9-13)18(20)21)17-10-12-3-6-14(22-2)7-4-12;1-21-16(20)11-7-8-12-13(9-11)17-14(15(19)18-12)10-5-3-2-4-6-10;1-11(19)13-5-8-16(15(17)9-13)18-10-12-3-6-14(20-2)7-4-12;16-14-13(9-4-2-1-3-5-9)18-12-8-10(15(17)20)6-7-11(12)19-14;18-14-13(9-4-2-1-3-5-9)16-12-8-10(15(19)20)6-7-11(12)17-14;1-12-9(11)8(10)7-5-3-2-4-6-7;1-5(11)6-2-3-7(9)8(4-6)10(12)13;7-2-1-4-9-5-3-8-6-9;1-4-7-5(2)9-6(3)8-4/h3-14H,15H2,1-2H3;2-4,6-9,11,13-15H,5,10,12H2,1H3,(H,24,28);1-3,5-8,10,12-14H,4,9,11H2,(H,24,28);3-9,17H,10H2,1-2H3;2-9H,1H3,(H,18,19);3-9,18H,10,17H2,1-2H3;1-8H;1-8H,(H,17,18)(H,19,20);2-6H,1H3;2-4H,1H3;3,5-6H,1-2,4,7H2;1-3H3.
What are the key properties of 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane?
1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 3198.54 g/mol, XLogP of 31.13, 41 rotatable bonds, 9 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[(4-methoxyphenyl)methylamino]phenyl]ethanone;2-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide;1-(4-chloro-3-nitrophenyl)ethanone;2-chloro-3-phenylquinoxaline-6-carbonyl chloride;3-imidazol-1-ylpropan-1-amine;N-(3-imidazol-1-ylpropyl)-2-methyl-3-phenylquinoxaline-6-carboxamide;1-[4-[(4-methoxyphenyl)methylamino]-3-nitrophenyl]ethanone;methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3-phenylquinoxaline-6-carboxylate;methyl 2-oxo-2-phenylacetate;methyl 2-oxo-3-phenyl-1H-quinoxaline-6-carboxylate;2-oxo-3-phenyl-1H-quinoxaline-6-carboxylic acid;2,4,6-trimethyl-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 158419887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).