7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one

C188H185Cl6N23O10 — CID 161221590

IUPAC7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one
SMILESCC(=O)N(c1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C.CC(C)C(=O)Nc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CCCNc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CCNc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-n3cccn3)cc1)C2c1ccc(Cl)cc1.CN(Cc1ccncc1)c1ccc(N2C(=O)Cc3ccc(NC4CCCC4)cc3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H33ClN4O2.C33H33ClN4O.C32H31ClN4O2.C31H31ClN4O.C30H29ClN4O.C29H28ClN3O3/c1-22(2)37(23(3)39)30-10-7-26-19-32(40)38(33(31(26)20-30)25-5-8-27(34)9-6-25)29-13-11-28(12-14-29)36(4)21-24-15-17-35-18-16-24;1-37(22-23-16-18-35-19-17-23)29-12-14-30(15-13-29)38-32(39)20-25-8-11-28(36-27-4-2-3-5-27)21-31(25)33(38)24-6-9-26(34)10-7-24;1-21(2)32(39)35-26-9-6-24-18-30(38)37(31(29(24)19-26)23-4-7-25(33)8-5-23)28-12-10-27(11-13-28)36(3)20-22-14-16-34-17-15-22;1-3-16-34-26-9-6-24-19-30(37)36(31(29(24)20-26)23-4-7-25(32)8-5-23)28-12-10-27(11-13-28)35(2)21-22-14-17-33-18-15-22;1-3-33-25-9-6-23-18-29(36)35(30(28(23)19-25)22-4-7-24(31)8-5-22)27-12-10-26(11-13-27)34(2)20-21-14-16-32-17-15-21;1-4-19(2)36-27-18-25-21(16-26(27)35-3)17-28(34)33(29(25)20-6-8-22(30)9-7-20)24-12-10-23(11-13-24)32-15-5-14-31-32/h5-18,20,22,33H,19,21H2,1-4H3;6-19,21,27,33,36H,2-5,20,22H2,1H3;4-17,19,21,31H,18,20H2,1-3H3,(H,35,39);4-15,17-18,20,31,34H,3,16,19,21H2,1-2H3;4-17,19,30,33H,3,18,20H2,1-2H3;5-16,18-19,29H,4,17H2,1-3H3/t;;;;;19-,29?/m.....1/s1
InChIKeyUXOUFCUYGSXUGN-RHXLAVAASA-N
MW3139.42 g/mol
LogP40.60
Rot. Bonds43

About 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one

7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one (PubChem CID 161221590) has the molecular formula C188H185Cl6N23O10 and a molecular weight of 3139.42 g/mol. Its IUPAC name is 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one
PubChem CID161221590
Molecular FormulaC188H185Cl6N23O10
Molecular Weight3139.42 g/mol
Exact Mass3134.28
IUPAC Name7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one
SMILESCC(=O)N(c1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C.CC(C)C(=O)Nc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CCCNc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CCNc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-n3cccn3)cc1)C2c1ccc(Cl)cc1.CN(Cc1ccncc1)c1ccc(N2C(=O)Cc3ccc(NC4CCCC4)cc3C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C33H33ClN4O2.C33H33ClN4O.C32H31ClN4O2.C31H31ClN4O.C30H29ClN4O.C29H28ClN3O3/c1-22(2)37(23(3)39)30-10-7-26-19-32(40)38(33(31(26)20-30)25-5-8-27(34)9-6-25)29-13-11-28(12-14-29)36(4)21-24-15-17-35-18-16-24;1-37(22-23-16-18-35-19-17-23)29-12-14-30(15-13-29)38-32(39)20-25-8-11-28(36-27-4-2-3-5-27)21-31(25)33(38)24-6-9-26(34)10-7-24;1-21(2)32(39)35-26-9-6-24-18-30(38)37(31(29(24)19-26)23-4-7-25(33)8-5-23)28-12-10-27(11-13-28)36(3)20-22-14-16-34-17-15-22;1-3-16-34-26-9-6-24-19-30(37)36(31(29(24)20-26)23-4-7-25(32)8-5-23)28-12-10-27(11-13-28)35(2)21-22-14-17-33-18-15-22;1-3-33-25-9-6-23-18-29(36)35(30(28(23)19-25)22-4-7-24(31)8-5-22)27-12-10-26(11-13-27)34(2)20-21-14-16-32-17-15-21;1-4-19(2)36-27-18-25-21(16-26(27)35-3)17-28(34)33(29(25)20-6-8-22(30)9-7-20)24-12-10-23(11-13-24)32-15-5-14-31-32/h5-18,20,22,33H,19,21H2,1-4H3;6-19,21,27,33,36H,2-5,20,22H2,1H3;4-17,19,21,31H,18,20H2,1-3H3,(H,35,39);4-15,17-18,20,31,34H,3,16,19,21H2,1-2H3;4-17,19,30,33H,3,18,20H2,1-2H3;5-16,18-19,29H,4,17H2,1-3H3/t;;;;;19-,29?/m.....1/s1
InChIKeyUXOUFCUYGSXUGN-RHXLAVAASA-N
XLogP40.60
TPSA324.29 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds43
Heavy Atoms227
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003139.42
LogP ≤ 540.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one (CID 161221590) is 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one is CC(=O)N(c1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2)C(C)C.CC(C)C(=O)Nc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CCCNc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CCNc1ccc2c(c1)C(c1ccc(Cl)cc1)N(c1ccc(N(C)Cc3ccncc3)cc1)C(=O)C2.CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(-n3cccn3)cc1)C2c1ccc(Cl)cc1.CN(Cc1ccncc1)c1ccc(N2C(=O)Cc3ccc(NC4CCCC4)cc3C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one?
The InChIKey is UXOUFCUYGSXUGN-RHXLAVAASA-N. The full InChI is InChI=1S/C33H33ClN4O2.C33H33ClN4O.C32H31ClN4O2.C31H31ClN4O.C30H29ClN4O.C29H28ClN3O3/c1-22(2)37(23(3)39)30-10-7-26-19-32(40)38(33(31(26)20-30)25-5-8-27(34)9-6-25)29-13-11-28(12-14-29)36(4)21-24-15-17-35-18-16-24;1-37(22-23-16-18-35-19-17-23)29-12-14-30(15-13-29)38-32(39)20-25-8-11-28(36-27-4-2-3-5-27)21-31(25)33(38)24-6-9-26(34)10-7-24;1-21(2)32(39)35-26-9-6-24-18-30(38)37(31(29(24)19-26)23-4-7-25(33)8-5-23)28-12-10-27(11-13-28)36(3)20-22-14-16-34-17-15-22;1-3-16-34-26-9-6-24-19-30(37)36(31(29(24)20-26)23-4-7-25(32)8-5-23)28-12-10-27(11-13-28)35(2)21-22-14-17-33-18-15-22;1-3-33-25-9-6-23-18-29(36)35(30(28(23)19-25)22-4-7-24(31)8-5-22)27-12-10-26(11-13-27)34(2)20-21-14-16-32-17-15-21;1-4-19(2)36-27-18-25-21(16-26(27)35-3)17-28(34)33(29(25)20-6-8-22(30)9-7-20)24-12-10-23(11-13-24)32-15-5-14-31-32/h5-18,20,22,33H,19,21H2,1-4H3;6-19,21,27,33,36H,2-5,20,22H2,1H3;4-17,19,21,31H,18,20H2,1-3H3,(H,35,39);4-15,17-18,20,31,34H,3,16,19,21H2,1-2H3;4-17,19,30,33H,3,18,20H2,1-2H3;5-16,18-19,29H,4,17H2,1-3H3/t;;;;;19-,29?/m.....1/s1.
What are the key properties of 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one?
7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one has a molecular weight of 3139.42 g/mol, XLogP of 40.60, 43 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R)-butan-2-yl]oxy-1-(4-chlorophenyl)-6-methoxy-2-(4-pyrazol-1-ylphenyl)-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(cyclopentylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;1-(4-chlorophenyl)-7-(ethylamino)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-1,4-dihydroisoquinolin-3-one;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-2-methylpropanamide;N-[1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-3-oxo-1,4-dihydroisoquinolin-7-yl]-N-propan-2-ylacetamide;1-(4-chlorophenyl)-2-[4-[methyl(pyridin-4-ylmethyl)amino]phenyl]-7-(propylamino)-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 161221590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).