[4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride

C157H144BBrClN21O19 — CID 158377136

IUPAC[4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2-c2ccccc2)cc1.CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1.COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)nc2c1.COC(=O)c1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1.COC(=O)c1ccc2nc(-c3ccccc3)c(Br)nc2c1.Cl.NCc1ccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2-c2ccccc2)cc1.NCc1ccc(B(O)O)cc1
InChIInChI=1S/C34H33N5O3.C29H25N5O.C28H27N3O4.C27H25N3O4.C16H11BrN2O2.C16H12N2O3.C7H10BNO2.ClH/c1-34(2,3)42-33(41)37-22-24-11-13-26(14-12-24)31-30(25-9-5-4-6-10-25)38-28-16-15-27(20-29(28)39-31)32(40)36-19-17-23-8-7-18-35-21-23;30-18-20-8-10-23(11-9-20)28-27(22-6-2-1-3-7-22)33-25-13-12-24(17-26(25)34-28)29(35)32-16-14-21-5-4-15-31-19-21;1-28(2,3)35-27(33)29-17-18-10-12-20(13-11-18)25-24(19-8-6-5-7-9-19)30-22-15-14-21(26(32)34-4)16-23(22)31-25;1-27(2,3)34-26(33)28-16-17-9-11-19(12-10-17)24-23(18-7-5-4-6-8-18)29-21-14-13-20(25(31)32)15-22(21)30-24;1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10;1-21-16(20)11-7-8-12-13(9-11)18-15(19)14(17-12)10-5-3-2-4-6-10;9-5-6-1-3-7(4-2-6)8(10)11;/h4-16,18,20-21H,17,19,22H2,1-3H3,(H,36,40)(H,37,41);1-13,15,17,19H,14,16,18,30H2,(H,32,35);5-16H,17H2,1-4H3,(H,29,33);4-15H,16H2,1-3H3,(H,28,33)(H,31,32);2-9H,1H3;2-9H,1H3,(H,18,19);1-4,10-11H,5,9H2;1H
InChIKeyJSOSCCOHTRODEN-UHFFFAOYSA-N
MW2755.18 g/mol
LogP28.08
Rot. Bonds31

About [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride

[4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride (PubChem CID 158377136) has the molecular formula C157H144BBrClN21O19 and a molecular weight of 2755.18 g/mol. Its IUPAC name is [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name[4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride
PubChem CID158377136
Molecular FormulaC157H144BBrClN21O19
Molecular Weight2755.18 g/mol
Exact Mass2751.99
IUPAC Name[4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2-c2ccccc2)cc1.CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1.COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)nc2c1.COC(=O)c1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1.COC(=O)c1ccc2nc(-c3ccccc3)c(Br)nc2c1.Cl.NCc1ccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2-c2ccccc2)cc1.NCc1ccc(B(O)O)cc1
InChIInChI=1S/C34H33N5O3.C29H25N5O.C28H27N3O4.C27H25N3O4.C16H11BrN2O2.C16H12N2O3.C7H10BNO2.ClH/c1-34(2,3)42-33(41)37-22-24-11-13-26(14-12-24)31-30(25-9-5-4-6-10-25)38-28-16-15-27(20-29(28)39-31)32(40)36-19-17-23-8-7-18-35-21-23;30-18-20-8-10-23(11-9-20)28-27(22-6-2-1-3-7-22)33-25-13-12-24(17-26(25)34-28)29(35)32-16-14-21-5-4-15-31-19-21;1-28(2,3)35-27(33)29-17-18-10-12-20(13-11-18)25-24(19-8-6-5-7-9-19)30-22-15-14-21(26(32)34-4)16-23(22)31-25;1-27(2,3)34-26(33)28-16-17-9-11-19(12-10-17)24-23(18-7-5-4-6-8-18)29-21-14-13-20(25(31)32)15-22(21)30-24;1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10;1-21-16(20)11-7-8-12-13(9-11)18-15(19)14(17-12)10-5-3-2-4-6-10;9-5-6-1-3-7(4-2-6)8(10)11;/h4-16,18,20-21H,17,19,22H2,1-3H3,(H,36,40)(H,37,41);1-13,15,17,19H,14,16,18,30H2,(H,32,35);5-16H,17H2,1-4H3,(H,29,33);4-15H,16H2,1-3H3,(H,28,33)(H,31,32);2-9H,1H3;2-9H,1H3,(H,18,19);1-4,10-11H,5,9H2;1H
InChIKeyJSOSCCOHTRODEN-UHFFFAOYSA-N
XLogP28.08
TPSA582.32 Ų
H-Bond Donors11
H-Bond Acceptors33
Rotatable Bonds31
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002755.18
LogP ≤ 528.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride with MolForge

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Related Compounds

sodium;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate;2-chloro-3-(trifluoromethyl)pyridine;deuterioethane;methanol;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 2-phenyl-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]quinoxaline-6-carboxylate;molecular hydrogen;2-phenyl-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoxaline-6-carboxylic acid;2-piperidin-4-yl-3-(trifluoromethyl)pyridine;hydroxide
CID 158702957
sodium;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[3-(trifluoromethyl)-2-pyridinyl]piperidine-1-carboxylate;2-chloro-3-(trifluoromethyl)pyridine;methanol;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 2-phenyl-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]quinoxaline-6-carboxylate;molecular hydrogen;2-phenyl-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]quinoxaline-6-carboxylic acid;2-phenyl-3-[4-[3-(trifluoromethyl)-2-pyridinyl]piperidin-1-yl]quinoxaline-6-carboxylic acid;2-piperidin-4-yl-3-(trifluoromethyl)pyridine;hydroxide
CID 160087780
1-Bromo-4-(trifluoromethyl)benzene;methyl 3-[4-(4-methylphenyl)piperidin-1-yl]-2-phenylquinoxaline-6-carboxylate;3-[4-(4-methylphenyl)piperidin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;pyridin-4-ylboronic acid;4-[4-(trifluoromethyl)phenyl]piperidine;4-[4-(trifluoromethyl)phenyl]pyridine
CID 162209070
tert-butyl N-piperidin-4-ylcarbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-phenylquinoxaline-6-carboxylate
CID 157472162
2-(2-Amino-5-phenylphenyl)-1-(5-piperazin-1-yl-2-pyridinyl)ethanone;tert-butyl 4-(6-methoxycarbonyl-3-pyridinyl)piperazine-1-carboxylate;tert-butyl 4-[6-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]-3-pyridinyl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;methyl 5-bromopyridine-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 157473886
tert-butyl 4-[6-(2-hydroxypropan-2-yl)quinolin-4-yl]piperidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;2-(4-cyclohexylquinolin-6-yl)propan-2-ol;methyl 4-bromoquinoline-6-carboxylate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]quinoline-6-carboxylate;methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]quinoline-6-carboxylate
CID 157715227
Sodium;deuterio(fluoro)methane;methanol;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylquinoxaline-6-carboxylate;1-(5-methyl-2-pyridinyl)piperazine;bis(3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylquinoxaline-6-carboxylic acid);hydroxide
CID 157902369
4-[(6-acetylquinolin-4-yl)amino]-N-(4-benzylphenyl)benzamide;1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-(3-benzylphenyl)ethanone;4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylic acid;methyl 4-[3-[2-(3-benzylphenyl)acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[(4-benzylphenyl)carbamoyl]anilino]quinoline-6-carboxylate
CID 158161678
3,4-Diaminobenzoic acid;methane;piperidin-1-yl(quinoxalin-6-yl)methanone;bis(quinoxaline-6-carboxylic acid)
CID 158173145
1-[3-[(6-acetylquinolin-4-yl)amino]phenyl]-2-[3-(pyridin-4-ylmethyl)phenyl]ethanone;4-[(6-acetylquinolin-4-yl)amino]-N-[4-(pyridin-4-ylmethyl)phenyl]benzamide;methyl 4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylate;methyl 4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylate;4-[3-[2-[3-(pyridin-4-ylmethyl)phenyl]acetyl]anilino]quinoline-6-carboxylic acid;4-[4-[[4-(pyridin-4-ylmethyl)phenyl]carbamoyl]anilino]quinoline-6-carboxylic acid
CID 158459353
sodium;1-amino-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-bromopyridine;N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-pyridin-2-ylbenzamide;(3-methoxycarbonylphenyl)boronic acid;methyl 3-pyridin-2-ylbenzoate;3-pyridin-2-ylbenzoic acid;hydroxide
CID 158777998
Sodium;deuterio(fluoro)methane;methanol;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylquinoxaline-6-carboxylate;1-(5-methyl-2-pyridinyl)piperazine;3-[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-2-phenylquinoxaline-6-carboxylic acid;hydroxide
CID 158841828

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride?
The IUPAC name of [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride (CID 158377136) is [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride.
What is the SMILES notation for [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride?
The canonical SMILES for [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride is CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2-c2ccccc2)cc1.CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1.COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CNC(=O)OC(C)(C)C)cc3)nc2c1.COC(=O)c1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1.COC(=O)c1ccc2nc(-c3ccccc3)c(Br)nc2c1.Cl.NCc1ccc(-c2nc3cc(C(=O)NCCc4cccnc4)ccc3nc2-c2ccccc2)cc1.NCc1ccc(B(O)O)cc1.
What is the InChIKey of [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride?
The InChIKey is JSOSCCOHTRODEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5O3.C29H25N5O.C28H27N3O4.C27H25N3O4.C16H11BrN2O2.C16H12N2O3.C7H10BNO2.ClH/c1-34(2,3)42-33(41)37-22-24-11-13-26(14-12-24)31-30(25-9-5-4-6-10-25)38-28-16-15-27(20-29(28)39-31)32(40)36-19-17-23-8-7-18-35-21-23;30-18-20-8-10-23(11-9-20)28-27(22-6-2-1-3-7-22)33-25-13-12-24(17-26(25)34-28)29(35)32-16-14-21-5-4-15-31-19-21;1-28(2,3)35-27(33)29-17-18-10-12-20(13-11-18)25-24(19-8-6-5-7-9-19)30-22-15-14-21(26(32)34-4)16-23(22)31-25;1-27(2,3)34-26(33)28-16-17-9-11-19(12-10-17)24-23(18-7-5-4-6-8-18)29-21-14-13-20(25(31)32)15-22(21)30-24;1-21-16(20)11-7-8-12-13(9-11)19-15(17)14(18-12)10-5-3-2-4-6-10;1-21-16(20)11-7-8-12-13(9-11)18-15(19)14(17-12)10-5-3-2-4-6-10;9-5-6-1-3-7(4-2-6)8(10)11;/h4-16,18,20-21H,17,19,22H2,1-3H3,(H,36,40)(H,37,41);1-13,15,17,19H,14,16,18,30H2,(H,32,35);5-16H,17H2,1-4H3,(H,29,33);4-15H,16H2,1-3H3,(H,28,33)(H,31,32);2-9H,1H3;2-9H,1H3,(H,18,19);1-4,10-11H,5,9H2;1H.
What are the key properties of [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride?
[4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride has a molecular weight of 2755.18 g/mol, XLogP of 28.08, 31 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)phenyl]boronic acid;3-[4-(aminomethyl)phenyl]-2-phenyl-N-(2-pyridin-3-ylethyl)quinoxaline-6-carboxamide;tert-butyl N-[[4-[3-phenyl-7-(2-pyridin-3-ylethylcarbamoyl)quinoxalin-2-yl]phenyl]methyl]carbamate;methyl 3-bromo-2-phenylquinoxaline-6-carboxylate;methyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylate;methyl 3-oxo-2-phenyl-4H-quinoxaline-6-carboxylate;3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-2-phenylquinoxaline-6-carboxylic acid;hydrochloride is sourced from PubChem (CID 158377136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).