(1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate

C192H226Cl6FN23O25 — CID 158214654

About (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate

(1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate (PubChem CID 158214654) has the molecular formula C192H226Cl6FN23O25 and a molecular weight of 3487.77 g/mol. Its IUPAC name is (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate.

Molecular Properties

• Compound Name: (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate
• PubChem CID: 158214654
• Molecular Formula: C192H226Cl6FN23O25
• Molecular Weight: 3487.77 g/mol
• Exact Mass: 3482.52
• IUPAC Name: (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate
• SMILES: CCC(=O)CNC1CCC(CN(C)c2cnc(N3C(=O)Cc4cc(OC)c(OC(C)C)cc4C3c3ccc(Cl)cc3)cn2)CC1.COC(=O)CNC1CCC(CN(C)c2cnc(N3C(=O)Cc4cc(OC)c(OC(C)C)cc4C3c3ccc(Cl)cc3)cn2)CC1.COCCCOc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1.COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1cnc(N(C)CC3CCC(N4CC(=O)N(C)C4)CC3)cn1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)N3CCN(CCO)CC3=O)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1F)N(c1ccc(N(C)C)cc1)C(=O)C2
• InChI: InChI=1S/C35H43ClN6O4.C35H44ClN5O4.C34H42ClN5O5.C33H38ClN3O5.C28H31ClN2O4.C27H28ClFN2O3/c1-22(2)46-30-16-28-25(14-29(30)45-5)15-33(43)42(35(28)24-8-10-26(36)11-9-24)32-18-37-31(17-38-32)39(3)19-23-6-12-27(13-7-23)41-20-34(44)40(4)21-41;1-6-28(42)18-37-27-13-7-23(8-14-27)21-40(4)32-19-39-33(20-38-32)41-34(43)16-25-15-30(44-5)31(45-22(2)3)17-29(25)35(41)24-9-11-26(36)12-10-24;1-21(2)45-29-16-27-24(14-28(29)43-4)15-32(41)40(34(27)23-8-10-25(35)11-9-23)31-18-37-30(17-38-31)39(3)20-22-6-12-26(13-7-22)36-19-33(42)44-5;1-21(2)42-30-19-28-25(17-29(30)41-4)18-31(39)37(33(28)24-5-9-26(34)10-6-24)27-11-7-23(8-12-27)22(3)36-14-13-35(15-16-38)20-32(36)40;1-30(2)22-10-12-23(13-11-22)31-27(32)17-20-16-25(34-4)26(35-15-5-14-33-3)18-24(20)28(31)19-6-8-21(29)9-7-19;1-16(2)34-25-15-22-17(12-24(25)33-5)13-26(32)31(20-9-7-19(8-10-20)30(3)4)27(22)21-11-6-18(28)14-23(21)29/h8-11,14,16-18,22-23,27,35H,6-7,12-13,15,19-21H2,1-5H3;9-12,15,17,19-20,22-23,27,35,37H,6-8,13-14,16,18,21H2,1-5H3;8-11,14,16-18,21-22,26,34,36H,6-7,12-13,15,19-20H2,1-5H3;5-12,17,19,21-22,33,38H,13-16,18,20H2,1-4H3;6-13,16,18,28H,5,14-15,17H2,1-4H3;6-12,14-16,27H,13H2,1-5H3/t;;;22-,33+;;27-/m...1.0/s1
• InChIKey: GCMPOVCRJGOONX-NERBKLGHSA-N
• XLogP: 33.40
• TPSA: 470.15 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 40
• Rotatable Bonds: 56
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3487.77
LogP ≤ 5	33.40
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate?

The IUPAC name of (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate (CID 158214654) is (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate.

What is the SMILES notation for (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate?

The canonical SMILES for (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate is CCC(=O)CNC1CCC(CN(C)c2cnc(N3C(=O)Cc4cc(OC)c(OC(C)C)cc4C3c3ccc(Cl)cc3)cn2)CC1.COC(=O)CNC1CCC(CN(C)c2cnc(N3C(=O)Cc4cc(OC)c(OC(C)C)cc4C3c3ccc(Cl)cc3)cn2)CC1.COCCCOc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1.COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(c1cnc(N(C)CC3CCC(N4CC(=O)N(C)C4)CC3)cn1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc([C@@H](C)N3CCN(CCO)CC3=O)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1F)N(c1ccc(N(C)C)cc1)C(=O)C2.

What is the InChIKey of (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate?

The InChIKey is GCMPOVCRJGOONX-NERBKLGHSA-N. The full InChI is InChI=1S/C35H43ClN6O4.C35H44ClN5O4.C34H42ClN5O5.C33H38ClN3O5.C28H31ClN2O4.C27H28ClFN2O3/c1-22(2)46-30-16-28-25(14-29(30)45-5)15-33(43)42(35(28)24-8-10-26(36)11-9-24)32-18-37-31(17-38-32)39(3)19-23-6-12-27(13-7-23)41-20-34(44)40(4)21-41;1-6-28(42)18-37-27-13-7-23(8-14-27)21-40(4)32-19-39-33(20-38-32)41-34(43)16-25-15-30(44-5)31(45-22(2)3)17-29(25)35(41)24-9-11-26(36)12-10-24;1-21(2)45-29-16-27-24(14-28(29)43-4)15-32(41)40(34(27)23-8-10-25(35)11-9-23)31-18-37-30(17-38-31)39(3)20-22-6-12-26(13-7-22)36-19-33(42)44-5;1-21(2)42-30-19-28-25(17-29(30)41-4)18-31(39)37(33(28)24-5-9-26(34)10-6-24)27-11-7-23(8-12-27)22(3)36-14-13-35(15-16-38)20-32(36)40;1-30(2)22-10-12-23(13-11-22)31-27(32)17-20-16-25(34-4)26(35-15-5-14-33-3)18-24(20)28(31)19-6-8-21(29)9-7-19;1-16(2)34-25-15-22-17(12-24(25)33-5)13-26(32)31(20-9-7-19(8-10-20)30(3)4)27(22)21-11-6-18(28)14-23(21)29/h8-11,14,16-18,22-23,27,35H,6-7,12-13,15,19-21H2,1-5H3;9-12,15,17,19-20,22-23,27,35,37H,6-8,13-14,16,18,21H2,1-5H3;8-11,14,16-18,21-22,26,34,36H,6-7,12-13,15,19-20H2,1-5H3;5-12,17,19,21-22,33,38H,13-16,18,20H2,1-4H3;6-13,16,18,28H,5,14-15,17H2,1-4H3;6-12,14-16,27H,13H2,1-5H3/t;;;22-,33+;;27-/m...1.0/s1.

What are the key properties of (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate?

(1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate has a molecular weight of 3487.77 g/mol, XLogP of 33.40, 56 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(4-chloro-2-fluorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(3-methoxypropoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-[(1R)-1-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]ethyl]phenyl]-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(3-methyl-4-oxoimidazolidin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(2-oxobutylamino)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;methyl 2-[[4-[[[5-[1-(4-chlorophenyl)-6-methoxy-3-oxo-7-propan-2-yloxy-1,4-dihydroisoquinolin-2-yl]pyrazin-2-yl]-methylamino]methyl]cyclohexyl]amino]acetate is sourced from PubChem (CID 158214654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).