tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate

C133H148Br2N14O15S2 — CID 158232345

About tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate

tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate (PubChem CID 158232345) has the molecular formula C133H148Br2N14O15S2 and a molecular weight of 2406.67 g/mol. Its IUPAC name is tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate
• PubChem CID: 158232345
• Molecular Formula: C133H148Br2N14O15S2
• Molecular Weight: 2406.67 g/mol
• Exact Mass: 2402.91
• IUPAC Name: tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCCCC3)ccc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc2c(Br)c(N3CCCCC3)ccc2c1.CCOC(=O)c1cnc2c(C3CC3)c(N3CCCCC3)ccc2c1.CCOC(=O)c1cnc2cc(Br)ccc2c1.CCOC(=O)c1cnc2cc(N3CCCCC3)ccc2c1.O=C(O)c1cnc2c(C3CC3)c(N3CCCCC3)ccc2c1
• InChI: InChI=1S/C34H37N3O3S.C20H24N2O2.C18H20N2O2.C17H19BrN2O2.C17H20N2O2.C15H18N2O2S.C12H10BrNO2/c1-34(2,3)40-33(39)36-27-13-11-23(30-8-7-17-41-30)18-25(27)20-29(38)26-19-24-12-14-28(37-15-5-4-6-16-37)31(22-9-10-22)32(24)35-21-26;1-2-24-20(23)16-12-15-8-9-17(22-10-4-3-5-11-22)18(14-6-7-14)19(15)21-13-16;21-18(22)14-10-13-6-7-15(20-8-2-1-3-9-20)16(12-4-5-12)17(13)19-11-14;1-2-22-17(21)13-10-12-6-7-14(15(18)16(12)19-11-13)20-8-4-3-5-9-20;1-2-21-17(20)14-10-13-6-7-15(11-16(13)18-12-14)19-8-4-3-5-9-19;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-2-16-12(15)9-5-8-3-4-10(13)6-11(8)14-7-9/h7-8,11-14,17-19,21-22H,4-6,9-10,15-16,20H2,1-3H3,(H,36,39);8-9,12-14H,2-7,10-11H2,1H3;6-7,10-12H,1-5,8-9H2,(H,21,22);6-7,10-11H,2-5,8-9H2,1H3;6-7,10-12H,2-5,8-9H2,1H3;4-9H,16H2,1-3H3,(H,17,18);3-7H,2H2,1H3
• InChIKey: GENKTWBSWVLUHB-UHFFFAOYSA-N
• XLogP: 31.77
• TPSA: 355.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 24
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2406.67
LogP ≤ 5	31.77
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate?

The IUPAC name of tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate (CID 158232345) is tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate.

What is the SMILES notation for tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate?

The canonical SMILES for tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1CC(=O)c1cnc2c(C3CC3)c(N3CCCCC3)ccc2c1.CC(C)(C)OC(=O)Nc1ccc(-c2cccs2)cc1N.CCOC(=O)c1cnc2c(Br)c(N3CCCCC3)ccc2c1.CCOC(=O)c1cnc2c(C3CC3)c(N3CCCCC3)ccc2c1.CCOC(=O)c1cnc2cc(Br)ccc2c1.CCOC(=O)c1cnc2cc(N3CCCCC3)ccc2c1.O=C(O)c1cnc2c(C3CC3)c(N3CCCCC3)ccc2c1.

What is the InChIKey of tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate?

The InChIKey is GENKTWBSWVLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N3O3S.C20H24N2O2.C18H20N2O2.C17H19BrN2O2.C17H20N2O2.C15H18N2O2S.C12H10BrNO2/c1-34(2,3)40-33(39)36-27-13-11-23(30-8-7-17-41-30)18-25(27)20-29(38)26-19-24-12-14-28(37-15-5-4-6-16-37)31(22-9-10-22)32(24)35-21-26;1-2-24-20(23)16-12-15-8-9-17(22-10-4-3-5-11-22)18(14-6-7-14)19(15)21-13-16;21-18(22)14-10-13-6-7-15(20-8-2-1-3-9-20)16(12-4-5-12)17(13)19-11-14;1-2-22-17(21)13-10-12-6-7-14(15(18)16(12)19-11-13)20-8-4-3-5-9-20;1-2-21-17(20)14-10-13-6-7-15(11-16(13)18-12-14)19-8-4-3-5-9-19;1-15(2,3)19-14(18)17-12-7-6-10(9-11(12)16)13-5-4-8-20-13;1-2-16-12(15)9-5-8-3-4-10(13)6-11(8)14-7-9/h7-8,11-14,17-19,21-22H,4-6,9-10,15-16,20H2,1-3H3,(H,36,39);8-9,12-14H,2-7,10-11H2,1H3;6-7,10-12H,1-5,8-9H2,(H,21,22);6-7,10-11H,2-5,8-9H2,1H3;6-7,10-12H,2-5,8-9H2,1H3;4-9H,16H2,1-3H3,(H,17,18);3-7H,2H2,1H3.

What are the key properties of tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate?

tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate has a molecular weight of 2406.67 g/mol, XLogP of 31.77, 24 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-(2-amino-4-thiophen-2-ylphenyl)carbamate;tert-butyl N-[2-[2-(8-cyclopropyl-7-piperidin-1-ylquinolin-3-yl)-2-oxoethyl]-4-thiophen-2-ylphenyl]carbamate;8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylic acid;ethyl 8-bromo-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-piperidin-1-ylquinoline-3-carboxylate;ethyl 7-piperidin-1-ylquinoline-3-carboxylate is sourced from PubChem (CID 158232345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).