(1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

C176H194Cl6N18O23 — CID 161102427

About (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one

(1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one (PubChem CID 161102427) has the molecular formula C176H194Cl6N18O23 and a molecular weight of 3142.31 g/mol. Its IUPAC name is (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one.

Molecular Properties

• Compound Name: (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
• PubChem CID: 161102427
• Molecular Formula: C176H194Cl6N18O23
• Molecular Weight: 3142.31 g/mol
• Exact Mass: 3137.27
• IUPAC Name: (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
• SMILES: COCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1.COCCOc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(-c3cn[nH]c3N)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1cnc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)cn1)C(=O)C2.COc1cc2c(cc1OC[C@@H](C)OC)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C)cc1)C(=O)C2.COc1cc2c(cc1OC[C@@H]1CCCO1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C)cc1)C(=O)C2
• InChI: InChI=1S/C36H45ClN6O4.C29H31ClN2O4.C28H27ClN4O3.2C28H31ClN2O4.C27H29ClN2O4/c1-23(2)47-31-18-29-26(16-30(31)46-5)17-34(44)43(36(29)25-8-10-27(37)11-9-25)33-20-38-32(19-39-33)41(4)21-24-6-12-28(13-7-24)42-15-14-40(3)35(45)22-42;1-31(2)22-10-12-23(13-11-22)32-28(33)16-20-15-26(34-3)27(36-18-24-5-4-14-35-24)17-25(20)29(32)19-6-8-21(30)9-7-19;1-16(2)36-25-14-22-19(12-24(25)35-3)13-26(34)33(27(22)18-4-8-20(29)9-5-18)21-10-6-17(7-11-21)23-15-31-32-28(23)30;1-18(33-4)17-35-26-16-24-20(14-25(26)34-5)15-27(32)31(23-12-10-22(11-13-23)30(2)3)28(24)19-6-8-21(29)9-7-19;1-18(17-33-4)35-26-16-24-20(14-25(26)34-5)15-27(32)31(23-12-10-22(11-13-23)30(2)3)28(24)19-6-8-21(29)9-7-19;1-29(2)21-9-11-22(12-10-21)30-26(31)16-19-15-24(33-4)25(34-14-13-32-3)17-23(19)27(30)18-5-7-20(28)8-6-18/h8-11,16,18-20,23-24,28,36H,6-7,12-15,17,21-22H2,1-5H3;6-13,15,17,24,29H,4-5,14,16,18H2,1-3H3;4-12,14-16,27H,13H2,1-3H3,(H3,30,31,32);2*6-14,16,18,28H,15,17H2,1-5H3;5-12,15,17,27H,13-14,16H2,1-4H3/t24?,28?,36-;24-,29-;27-;18-,28+;18?,28-;27-/m000100/s1
• InChIKey: UIPMFZZLLPPPCQ-HTDKLOGBSA-N
• XLogP: 32.94
• TPSA: 389.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 46
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3142.31
LogP ≤ 5	32.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

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 (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The IUPAC name of (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one (CID 161102427) is (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one.

What is the SMILES notation for (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The canonical SMILES for (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one is COCC(C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1.COCCOc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)[C@H]2c1ccc(Cl)cc1.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1ccc(-c3cn[nH]c3N)cc1)C(=O)C2.COc1cc2c(cc1OC(C)C)[C@H](c1ccc(Cl)cc1)N(c1cnc(N(C)CC3CCC(N4CCN(C)C(=O)C4)CC3)cn1)C(=O)C2.COc1cc2c(cc1OC[C@@H](C)OC)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C)cc1)C(=O)C2.COc1cc2c(cc1OC[C@@H]1CCCO1)[C@H](c1ccc(Cl)cc1)N(c1ccc(N(C)C)cc1)C(=O)C2.

What is the InChIKey of (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

The InChIKey is UIPMFZZLLPPPCQ-HTDKLOGBSA-N. The full InChI is InChI=1S/C36H45ClN6O4.C29H31ClN2O4.C28H27ClN4O3.2C28H31ClN2O4.C27H29ClN2O4/c1-23(2)47-31-18-29-26(16-30(31)46-5)17-34(44)43(36(29)25-8-10-27(37)11-9-25)33-20-38-32(19-39-33)41(4)21-24-6-12-28(13-7-24)42-15-14-40(3)35(45)22-42;1-31(2)22-10-12-23(13-11-22)32-28(33)16-20-15-26(34-3)27(36-18-24-5-4-14-35-24)17-25(20)29(32)19-6-8-21(30)9-7-19;1-16(2)36-25-14-22-19(12-24(25)35-3)13-26(34)33(27(22)18-4-8-20(29)9-5-18)21-10-6-17(7-11-21)23-15-31-32-28(23)30;1-18(33-4)17-35-26-16-24-20(14-25(26)34-5)15-27(32)31(23-12-10-22(11-13-23)30(2)3)28(24)19-6-8-21(29)9-7-19;1-18(17-33-4)35-26-16-24-20(14-25(26)34-5)15-27(32)31(23-12-10-22(11-13-23)30(2)3)28(24)19-6-8-21(29)9-7-19;1-29(2)21-9-11-22(12-10-21)30-26(31)16-19-15-24(33-4)25(34-14-13-32-3)17-23(19)27(30)18-5-7-20(28)8-6-18/h8-11,16,18-20,23-24,28,36H,6-7,12-15,17,21-22H2,1-5H3;6-13,15,17,24,29H,4-5,14,16,18H2,1-3H3;4-12,14-16,27H,13H2,1-3H3,(H3,30,31,32);2*6-14,16,18,28H,15,17H2,1-5H3;5-12,15,17,27H,13-14,16H2,1-4H3/t24?,28?,36-;24-,29-;27-;18-,28+;18?,28-;27-/m000100/s1.

What are the key properties of (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one?

(1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one has a molecular weight of 3142.31 g/mol, XLogP of 32.94, 46 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-2-[4-(5-amino-1H-pyrazol-4-yl)phenyl]-1-(4-chlorophenyl)-6-methoxy-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(2-methoxyethoxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-(1-methoxypropan-2-yloxy)-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[(2R)-2-methoxypropoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-2-[4-(dimethylamino)phenyl]-6-methoxy-7-[[(2S)-oxolan-2-yl]methoxy]-1,4-dihydroisoquinolin-3-one;(1S)-1-(4-chlorophenyl)-6-methoxy-2-[5-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]pyrazin-2-yl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 161102427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).