2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate

C111H123N17O10S3 — CID 157237155

IUPAC2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2nc(N3CCNCC3)cnc2c1.O=C(O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1
InChIInChI=1S/C33H36N4O3S.C27H27N5OS.C19H23N3O2.C17H19N3O2.C15H18N2O2S/c1-33(2,3)40-32(39)35-26-12-11-22(29-8-7-15-41-29)16-23(26)19-28(38)24-17-25(21-9-10-21)31-27(18-24)34-20-30(36-31)37-13-5-4-6-14-37;28-22-6-5-18(25-2-1-11-34-25)12-19(22)15-24(33)20-13-21(17-3-4-17)27-23(14-20)30-16-26(31-27)32-9-7-29-8-10-32;1-2-24-19(23)14-10-15(13-6-7-13)18-16(11-14)20-12-17(21-18)22-8-4-3-5-9-22;21-17(22)12-8-13(11-4-5-11)16-14(9-12)18-10-15(19-16)20-6-2-1-3-7-20;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13/h7-8,11-12,15-18,20-21H,4-6,9-10,13-14,19H2,1-3H3,(H,35,39);1-2,5-6,11-14,16-17,29H,3-4,7-10,15,28H2;10-13H,2-9H2,1H3;8-11H,1-7H2,(H,21,22);4-9H,16H2,1-3H3,(H,17,18)
InChIKeyAUTRCJSLQJXFAK-UHFFFAOYSA-N
MW1951.51 g/mol
LogP23.87
Rot. Bonds22

About 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate

2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate (PubChem CID 157237155) has the molecular formula C111H123N17O10S3 and a molecular weight of 1951.51 g/mol. Its IUPAC name is 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate
PubChem CID157237155
Molecular FormulaC111H123N17O10S3
Molecular Weight1951.51 g/mol
Exact Mass1949.88
IUPAC Name2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2nc(N3CCNCC3)cnc2c1.O=C(O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1
InChIInChI=1S/C33H36N4O3S.C27H27N5OS.C19H23N3O2.C17H19N3O2.C15H18N2O2S/c1-33(2,3)40-32(39)35-26-12-11-22(29-8-7-15-41-29)16-23(26)19-28(38)24-17-25(21-9-10-21)31-27(18-24)34-20-30(36-31)37-13-5-4-6-14-37;28-22-6-5-18(25-2-1-11-34-25)12-19(22)15-24(33)20-13-21(17-3-4-17)27-23(14-20)30-16-26(31-27)32-9-7-29-8-10-32;1-2-24-19(23)14-10-15(13-6-7-13)18-16(11-14)20-12-17(21-18)22-8-4-3-5-9-22;21-17(22)12-8-13(11-4-5-11)16-14(9-12)18-10-15(19-16)20-6-2-1-3-7-20;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13/h7-8,11-12,15-18,20-21H,4-6,9-10,13-14,19H2,1-3H3,(H,35,39);1-2,5-6,11-14,16-17,29H,3-4,7-10,15,28H2;10-13H,2-9H2,1H3;8-11H,1-7H2,(H,21,22);4-9H,16H2,1-3H3,(H,17,18)
InChIKeyAUTRCJSLQJXFAK-UHFFFAOYSA-N
XLogP23.87
TPSA354.55 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.51
LogP ≤ 523.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate with MolForge

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Related Compounds

tert-butyl N-[2-[2-oxo-2-(7-piperazin-1-ylquinolin-3-yl)ethyl]-4-thiophen-2-ylphenyl]carbamate
CID 161218316
2-(2-amino-5-thiophen-2-ylphenyl)-1-(3-methylbenzimidazol-5-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(3-methylbenzimidazol-5-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;3-methylbenzimidazole-5-carboxylic acid
CID 163594465
2-(2-amino-5-thiophen-2-ylphenyl)-1-(5-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;5-bromo-1,3-thiazole-2-carboxylic acid;tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]-1,3-thiazol-5-yl]piperazine-1-carboxylate;methyl 5-bromo-1,3-thiazole-2-carboxylate;methyl 5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylate;5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-1,3-thiazole-2-carboxylic acid
CID 158213576
tert-butyl 4-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]pyrimidin-5-yl]piperazine-1-carboxylate
CID 160520842
2-(2-amino-5-thiophen-2-ylphenyl)-1-(4-methyl-2-piperazin-1-yl-1,3-thiazol-5-yl)ethanone
CID 152797757
tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-(ethoxycarbonylamino)-4-thiophen-2-ylphenyl]carbamate;ethyl carbonochloridate
CID 157328097
tert-butyl 4-[3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-thiophen-2-ylphenyl]acetyl]isoquinolin-7-yl]piperazine-1-carboxylate
CID 162167760
2-[2-amino-5-(furan-2-yl)phenyl]-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-[2-amino-5-(furan-2-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-[2-amino-5-(furan-3-yl)phenyl]-1-(4-piperazin-1-yl-1,3-thiazol-2-yl)ethanone;2-(2-amino-5-phenylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 161473158
2-(2-amino-5-phenylphenyl)-1-[6-cyclopropyl-7-[2-methoxyethyl(methyl)amino]quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]ethanone;2-(2-amino-5-phenylphenyl)-1-(8-cyclopropyl-7-piperazin-1-ylquinolin-3-yl)ethanone;2-(2-amino-5-thiophen-2-ylphenyl)-1-[6-cyclopropyl-7-(3-methoxypropyl)quinolin-3-yl]ethanone
CID 161381166
N-(2-amino-5-thiophen-2-ylphenyl)-6-piperazin-1-ylpyridine-3-carboxamide
CID 134535362
(E)-N-(2-amino-5-thiophen-2-ylphenyl)-3-(3-cyclopropyl-4-piperazin-1-ylphenyl)prop-2-enamide
CID 121341035
tert-butyl 4-[8-cyclopropyl-3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylphenyl]acetyl]quinolin-7-yl]piperazine-1-carboxylate
CID 159012840

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate?
The IUPAC name of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate (CID 157237155) is 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate.
What is the SMILES notation for 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate?
The canonical SMILES for 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.Nc1ccc(-c2cccs2)cc1CC(=O)c1cc(C2CC2)c2nc(N3CCNCC3)cnc2c1.O=C(O)c1cc(C2CC2)c2nc(N3CCCCC3)cnc2c1.
What is the InChIKey of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate?
The InChIKey is AUTRCJSLQJXFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O3S.C27H27N5OS.C19H23N3O2.C17H19N3O2.C15H18N2O2S/c1-33(2,3)40-32(39)35-26-12-11-22(29-8-7-15-41-29)16-23(26)19-28(38)24-17-25(21-9-10-21)31-27(18-24)34-20-30(36-31)37-13-5-4-6-14-37;28-22-6-5-18(25-2-1-11-34-25)12-19(22)15-24(33)20-13-21(17-3-4-17)27-23(14-20)30-16-26(31-27)32-9-7-29-8-10-32;1-2-24-19(23)14-10-15(13-6-7-13)18-16(11-14)20-12-17(21-18)22-8-4-3-5-9-22;21-17(22)12-8-13(11-4-5-11)16-14(9-12)18-10-15(19-16)20-6-2-1-3-7-20;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13/h7-8,11-12,15-18,20-21H,4-6,9-10,13-14,19H2,1-3H3,(H,35,39);1-2,5-6,11-14,16-17,29H,3-4,7-10,15,28H2;10-13H,2-9H2,1H3;8-11H,1-7H2,(H,21,22);4-9H,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate?
2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate has a molecular weight of 1951.51 g/mol, XLogP of 23.87, 22 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-thiophen-2-ylphenyl)-1-(8-cyclopropyl-2-piperazin-1-ylquinoxalin-6-yl)ethanone;tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-2-piperidin-1-ylquinoxalin-6-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylic acid;ethyl 8-cyclopropyl-2-piperidin-1-ylquinoxaline-6-carboxylate is sourced from PubChem (CID 157237155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).