tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

C86H122FN7O13S3 — CID 157197513

About tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide

tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 157197513) has the molecular formula C86H122FN7O13S3 and a molecular weight of 1577.16 g/mol. Its IUPAC name is tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

• Compound Name: tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
• PubChem CID: 157197513
• Molecular Formula: C86H122FN7O13S3
• Molecular Weight: 1577.16 g/mol
• Exact Mass: 1575.82
• IUPAC Name: tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
• SMILES: CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CCN3CC2(C)CCOCC2)cc1.CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CCN3CC2(F)CCOCC2)cc1
• InChI: InChI=1S/C31H45N3O5S.C28H40N2O4S.C27H37FN2O4S/c1-7-23-8-10-25(11-9-23)34(21-22(2)3)40(37,38)26-12-13-28-27(20-26)29(35)16-19-33(28)24-14-17-32(18-15-24)30(36)39-31(4,5)6;1-5-22-6-8-23(9-7-22)30(19-21(2)3)35(32,33)24-10-11-26-25(18-24)27(31)12-15-29(26)20-28(4)13-16-34-17-14-28;1-4-21-5-7-22(8-6-21)30(18-20(2)3)35(32,33)23-9-10-25-24(17-23)26(31)11-14-29(25)19-27(28)12-15-34-16-13-27/h8-13,20,22,24,29,35H,7,14-19,21H2,1-6H3;6-11,18,21,27,31H,5,12-17,19-20H2,1-4H3;5-10,17,20,26,31H,4,11-16,18-19H2,1-3H3
• InChIKey: AQKNLLKHWVGFEX-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 230.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.16
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

The IUPAC name of tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 157197513) is tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide.

What is the SMILES notation for tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

The canonical SMILES for tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CCN3C2CCN(C(=O)OC(C)(C)C)CC2)cc1.CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CCN3CC2(C)CCOCC2)cc1.CCc1ccc(N(CC(C)C)S(=O)(=O)c2ccc3c(c2)C(O)CCN3CC2(F)CCOCC2)cc1.

What is the InChIKey of tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

The InChIKey is AQKNLLKHWVGFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O5S.C28H40N2O4S.C27H37FN2O4S/c1-7-23-8-10-25(11-9-23)34(21-22(2)3)40(37,38)26-12-13-28-27(20-26)29(35)16-19-33(28)24-14-17-32(18-15-24)30(36)39-31(4,5)6;1-5-22-6-8-23(9-7-22)30(19-21(2)3)35(32,33)24-10-11-26-25(18-24)27(31)12-15-29(26)20-28(4)13-16-34-17-14-28;1-4-21-5-7-22(8-6-21)30(18-20(2)3)35(32,33)23-9-10-25-24(17-23)26(31)11-14-29(25)19-27(28)12-15-34-16-13-27/h8-13,20,22,24,29,35H,7,14-19,21H2,1-6H3;6-11,18,21,27,31H,5,12-17,19-20H2,1-4H3;5-10,17,20,26,31H,4,11-16,18-19H2,1-3H3.

What are the key properties of tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide?

tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 1577.16 g/mol, XLogP of 15.77, 23 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[6-[(4-ethylphenyl)-(2-methylpropyl)sulfamoyl]-4-hydroxy-3,4-dihydro-2H-quinolin-1-yl]piperidine-1-carboxylate;N-(4-ethylphenyl)-1-[(4-fluorooxan-4-yl)methyl]-4-hydroxy-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide;N-(4-ethylphenyl)-4-hydroxy-1-[(4-methyloxan-4-yl)methyl]-N-(2-methylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 157197513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).