(9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline

C205H224BrCl2N9O21S7 — CID 161094104

IUPAC(9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline
SMILESCCOC1=C2CCC(c3ccc(CC)cc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(Br)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccc(CC)cc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccc(Cl)cc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2cccs2)C1.CCOC1=C2CC[C@H](c3cccc(Cl)c3)C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1
InChIInChI=1S/2C32H37NO3S.C30H32ClNO3S.C30H33NO3S.C29H30BrNO3S.C28H31NO3S2.C24H24ClN3O3/c1-4-24-13-15-25(16-14-24)27-17-20-29-31(21-27)33(37(34,35)28-18-11-23(3)12-19-28)30(22-32(29)36-5-2)26-9-7-6-8-10-26;1-4-24-13-15-26(16-14-24)30-22-32(36-5-2)29-20-17-27(25-9-7-6-8-10-25)21-31(29)33(30)37(34,35)28-18-11-23(3)12-19-28;1-3-35-30-20-28(23-11-14-25(31)15-12-23)32(36(33,34)26-16-9-21(2)10-17-26)29-19-24(13-18-27(29)30)22-7-5-4-6-8-22;1-3-34-30-21-28(24-12-8-5-9-13-24)31(35(32,33)26-17-14-22(2)15-18-26)29-20-25(16-19-27(29)30)23-10-6-4-7-11-23;1-2-34-29-20-27(22-11-7-4-8-12-22)31(35(32,33)25-16-14-24(30)15-17-25)28-19-23(13-18-26(28)29)21-9-5-3-6-10-21;1-3-32-27-19-26(28-10-7-17-33-28)29(34(30,31)23-14-11-20(2)12-15-23)25-18-22(13-16-24(25)27)21-8-5-4-6-9-21;1-2-31-22-15-26-23(29)27(19-9-4-3-5-10-19)24(30)28(26)21-14-17(11-12-20(21)22)16-7-6-8-18(25)13-16/h2*6-16,18-19,27,30-31H,4-5,17,20-22H2,1-3H3;4-12,14-17,24,28-29H,3,13,18-20H2,1-2H3;4-15,17-18,25,28-29H,3,16,19-21H2,1-2H3;3-12,14-17,23,27-28H,2,13,18-20H2,1H3;4-12,14-15,17,22,25-26H,3,13,16,18-19H2,1-2H3;3-10,13,17,21H,2,11-12,14-15H2,1H3/t;;;;;;17-,21+/m......0/s1
InChIKeyUHOIPNBLDPYQJB-SEOWKBFUSA-N
MW3525.37 g/mol
LogP47.11
Rot. Bonds42

About (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline

(9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline (PubChem CID 161094104) has the molecular formula C205H224BrCl2N9O21S7 and a molecular weight of 3525.37 g/mol. Its IUPAC name is (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline.

Molecular Properties

Compound Name(9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline
PubChem CID161094104
Molecular FormulaC205H224BrCl2N9O21S7
Molecular Weight3525.37 g/mol
Exact Mass3520.33
IUPAC Name(9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline
SMILESCCOC1=C2CCC(c3ccc(CC)cc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(Br)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccc(CC)cc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccc(Cl)cc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2cccs2)C1.CCOC1=C2CC[C@H](c3cccc(Cl)c3)C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1
InChIInChI=1S/2C32H37NO3S.C30H32ClNO3S.C30H33NO3S.C29H30BrNO3S.C28H31NO3S2.C24H24ClN3O3/c1-4-24-13-15-25(16-14-24)27-17-20-29-31(21-27)33(37(34,35)28-18-11-23(3)12-19-28)30(22-32(29)36-5-2)26-9-7-6-8-10-26;1-4-24-13-15-26(16-14-24)30-22-32(36-5-2)29-20-17-27(25-9-7-6-8-10-25)21-31(29)33(30)37(34,35)28-18-11-23(3)12-19-28;1-3-35-30-20-28(23-11-14-25(31)15-12-23)32(36(33,34)26-16-9-21(2)10-17-26)29-19-24(13-18-27(29)30)22-7-5-4-6-8-22;1-3-34-30-21-28(24-12-8-5-9-13-24)31(35(32,33)26-17-14-22(2)15-18-26)29-20-25(16-19-27(29)30)23-10-6-4-7-11-23;1-2-34-29-20-27(22-11-7-4-8-12-22)31(35(32,33)25-16-14-24(30)15-17-25)28-19-23(13-18-26(28)29)21-9-5-3-6-10-21;1-3-32-27-19-26(28-10-7-17-33-28)29(34(30,31)23-14-11-20(2)12-15-23)25-18-22(13-16-24(25)27)21-8-5-4-6-9-21;1-2-31-22-15-26-23(29)27(19-9-4-3-5-10-19)24(30)28(26)21-14-17(11-12-20(21)22)16-7-6-8-18(25)13-16/h2*6-16,18-19,27,30-31H,4-5,17,20-22H2,1-3H3;4-12,14-17,24,28-29H,3,13,18-20H2,1-2H3;4-15,17-18,25,28-29H,3,16,19-21H2,1-2H3;3-12,14-17,23,27-28H,2,13,18-20H2,1H3;4-12,14-15,17,22,25-26H,3,13,16,18-19H2,1-2H3;3-10,13,17,21H,2,11-12,14-15H2,1H3/t;;;;;;17-,21+/m......0/s1
InChIKeyUHOIPNBLDPYQJB-SEOWKBFUSA-N
XLogP47.11
TPSA337.82 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds42
Heavy Atoms245
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003525.37
LogP ≤ 547.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Analyze (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline?
The IUPAC name of (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline (CID 161094104) is (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline.
What is the SMILES notation for (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline?
The canonical SMILES for (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline is CCOC1=C2CCC(c3ccc(CC)cc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(Br)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccc(CC)cc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccc(Cl)cc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2ccccc2)C1.CCOC1=C2CCC(c3ccccc3)CC2N(S(=O)(=O)c2ccc(C)cc2)C(c2cccs2)C1.CCOC1=C2CC[C@H](c3cccc(Cl)c3)C[C@H]2n2c(=O)n(-c3ccccc3)c(=O)n2C1.
What is the InChIKey of (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline?
The InChIKey is UHOIPNBLDPYQJB-SEOWKBFUSA-N. The full InChI is InChI=1S/2C32H37NO3S.C30H32ClNO3S.C30H33NO3S.C29H30BrNO3S.C28H31NO3S2.C24H24ClN3O3/c1-4-24-13-15-25(16-14-24)27-17-20-29-31(21-27)33(37(34,35)28-18-11-23(3)12-19-28)30(22-32(29)36-5-2)26-9-7-6-8-10-26;1-4-24-13-15-26(16-14-24)30-22-32(36-5-2)29-20-17-27(25-9-7-6-8-10-25)21-31(29)33(30)37(34,35)28-18-11-23(3)12-19-28;1-3-35-30-20-28(23-11-14-25(31)15-12-23)32(36(33,34)26-16-9-21(2)10-17-26)29-19-24(13-18-27(29)30)22-7-5-4-6-8-22;1-3-34-30-21-28(24-12-8-5-9-13-24)31(35(32,33)26-17-14-22(2)15-18-26)29-20-25(16-19-27(29)30)23-10-6-4-7-11-23;1-2-34-29-20-27(22-11-7-4-8-12-22)31(35(32,33)25-16-14-24(30)15-17-25)28-19-23(13-18-26(28)29)21-9-5-3-6-10-21;1-3-32-27-19-26(28-10-7-17-33-28)29(34(30,31)23-14-11-20(2)12-15-23)25-18-22(13-16-24(25)27)21-8-5-4-6-9-21;1-2-31-22-15-26-23(29)27(19-9-4-3-5-10-19)24(30)28(26)21-14-17(11-12-20(21)22)16-7-6-8-18(25)13-16/h2*6-16,18-19,27,30-31H,4-5,17,20-22H2,1-3H3;4-12,14-17,24,28-29H,3,13,18-20H2,1-2H3;4-15,17-18,25,28-29H,3,16,19-21H2,1-2H3;3-12,14-17,23,27-28H,2,13,18-20H2,1H3;4-12,14-15,17,22,25-26H,3,13,16,18-19H2,1-2H3;3-10,13,17,21H,2,11-12,14-15H2,1H3/t;;;;;;17-,21+/m......0/s1.
What are the key properties of (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline?
(9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline has a molecular weight of 3525.37 g/mol, XLogP of 47.11, 42 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for (9S,10aR)-9-(3-chlorophenyl)-6-ethoxy-2-phenyl-5,7,8,9,10,10a-hexahydro-[1,2,4]triazolo[1,2-a]cinnoline-1,3-dione;1-(4-bromophenyl)sulfonyl-4-ethoxy-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;2-(4-chlorophenyl)-4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-2-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-7-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-7-(4-ethylphenyl)-1-(4-methylphenyl)sulfonyl-2-phenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-2,7-diphenyl-3,5,6,7,8,8a-hexahydro-2H-quinoline;4-ethoxy-1-(4-methylphenyl)sulfonyl-7-phenyl-2-thiophen-2-yl-3,5,6,7,8,8a-hexahydro-2H-quinoline is sourced from PubChem (CID 161094104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).