sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide

C142H137Br2N8NaO14 — CID 160550763

About sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide

sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide (PubChem CID 160550763) has the molecular formula C142H137Br2N8NaO14 and a molecular weight of 2362.50 g/mol. Its IUPAC name is sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide.

Molecular Properties

• Compound Name: sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide
• PubChem CID: 160550763
• Molecular Formula: C142H137Br2N8NaO14
• Molecular Weight: 2362.50 g/mol
• Exact Mass: 2358.85
• IUPAC Name: sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.CCOC(=O)c1cnc2c(Br)c(CCc3ccccc3)ccc2c1.CCOC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.CCOC(=O)c1cnc2cc(Br)ccc2c1.CCOC(=O)c1cnc2cc(CCc3ccccc3)ccc2c1.NCc1ccccc1.O=C(O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.[Na+].[OH-]
• InChI: InChI=1S/C39H38N2O3.C23H23NO2.C21H19NO2.C20H18BrNO2.C20H19NO2.C12H10BrNO2.C7H9N.Na.H2O/c1-39(2,3)44-38(43)41-34-21-20-30(27-12-8-5-9-13-27)22-32(34)24-35(42)33-23-31-19-18-28(15-14-26-10-6-4-7-11-26)36(29-16-17-29)37(31)40-25-33;1-2-26-23(25)20-14-19-13-12-17(9-8-16-6-4-3-5-7-16)21(18-10-11-18)22(19)24-15-20;23-21(24)18-12-17-11-10-15(7-6-14-4-2-1-3-5-14)19(16-8-9-16)20(17)22-13-18;1-2-24-20(23)17-12-16-11-10-15(18(21)19(16)22-13-17)9-8-14-6-4-3-5-7-14;1-2-23-20(22)18-13-17-11-10-16(12-19(17)21-14-18)9-8-15-6-4-3-5-7-15;1-2-16-12(15)9-5-8-3-4-10(13)6-11(8)14-7-9;8-6-7-4-2-1-3-5-7;;/h4-13,18-23,25,29H,14-17,24H2,1-3H3,(H,41,43);3-7,12-15,18H,2,8-11H2,1H3;1-5,10-13,16H,6-9H2,(H,23,24);3-7,10-13H,2,8-9H2,1H3;3-7,10-14H,2,8-9H2,1H3;3-7H,2H2,1H3;1-5H,6,8H2;;1H2/q;;;;;;;+1;/p-1
• InChIKey: QYAPGSONFUOZAH-UHFFFAOYSA-M
• XLogP: 29.31
• TPSA: 331.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 33
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2362.50
LogP ≤ 5	29.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide?

The IUPAC name of sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide (CID 160550763) is sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide.

What is the SMILES notation for sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide?

The canonical SMILES for sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide is CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cc1CC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.CCOC(=O)c1cnc2c(Br)c(CCc3ccccc3)ccc2c1.CCOC(=O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.CCOC(=O)c1cnc2cc(Br)ccc2c1.CCOC(=O)c1cnc2cc(CCc3ccccc3)ccc2c1.NCc1ccccc1.O=C(O)c1cnc2c(C3CC3)c(CCc3ccccc3)ccc2c1.[Na+].[OH-].

What is the InChIKey of sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide?

The InChIKey is QYAPGSONFUOZAH-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H38N2O3.C23H23NO2.C21H19NO2.C20H18BrNO2.C20H19NO2.C12H10BrNO2.C7H9N.Na.H2O/c1-39(2,3)44-38(43)41-34-21-20-30(27-12-8-5-9-13-27)22-32(34)24-35(42)33-23-31-19-18-28(15-14-26-10-6-4-7-11-26)36(29-16-17-29)37(31)40-25-33;1-2-26-23(25)20-14-19-13-12-17(9-8-16-6-4-3-5-7-16)21(18-10-11-18)22(19)24-15-20;23-21(24)18-12-17-11-10-15(7-6-14-4-2-1-3-5-14)19(16-8-9-16)20(17)22-13-18;1-2-24-20(23)17-12-16-11-10-15(18(21)19(16)22-13-17)9-8-14-6-4-3-5-7-14;1-2-23-20(22)18-13-17-11-10-16(12-19(17)21-14-18)9-8-15-6-4-3-5-7-15;1-2-16-12(15)9-5-8-3-4-10(13)6-11(8)14-7-9;8-6-7-4-2-1-3-5-7;;/h4-13,18-23,25,29H,14-17,24H2,1-3H3,(H,41,43);3-7,12-15,18H,2,8-11H2,1H3;1-5,10-13,16H,6-9H2,(H,23,24);3-7,10-13H,2,8-9H2,1H3;3-7,10-14H,2,8-9H2,1H3;3-7H,2H2,1H3;1-5H,6,8H2;;1H2/q;;;;;;;+1;/p-1.

What are the key properties of sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide?

sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide has a molecular weight of 2362.50 g/mol, XLogP of 29.31, 33 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;tert-butyl N-[2-[2-[8-cyclopropyl-7-(2-phenylethyl)quinolin-3-yl]-2-oxoethyl]-4-phenylphenyl]carbamate;8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylic acid;ethyl 8-bromo-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-bromoquinoline-3-carboxylate;ethyl 8-cyclopropyl-7-(2-phenylethyl)quinoline-3-carboxylate;ethyl 7-(2-phenylethyl)quinoline-3-carboxylate;phenylmethanamine;hydroxide is sourced from PubChem (CID 160550763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).