6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one

C178H173ClN24O22S — CID 158807905

IUPAC6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]c(Cl)cc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]c(N)cc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(C(C)(C)O)ccc4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(C)c4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5c4CCCC5)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5c4NS(=O)(=O)N5)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-n4ccccc4=O)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(N4CC(N)Cc5ccccc54)cc3C2=O)C1
InChIInChI=1S/C24H24N2O3.C24H26N2O3.C23H20ClN3O2.C23H22N4O2.C23H24N4O2.C22H22N2O3.C20H18N4O4S.C19H17N3O3/c1-2-23(28)25-13-18(14-25)26-12-17-8-7-16(10-22(17)24(26)29)21-11-19(27)9-15-5-3-4-6-20(15)21;1-5-22(27)25-13-19(14-25)26-12-17-8-7-16(10-21(17)23(26)28)20-11-18(24(3,4)29)9-6-15(20)2;2*1-3-21(28)26-11-16(12-26)27-10-15-6-5-14(8-17(15)23(27)29)22-13(2)4-7-19-18(22)9-20(24)25-19;1-2-22(28)25-13-19(14-25)27-11-16-7-8-18(10-20(16)23(27)29)26-12-17(24)9-15-5-3-4-6-21(15)26;1-4-21(26)23-11-17(12-23)24-10-16-6-5-15(8-20(16)22(24)27)19-9-18(25)7-13(2)14(19)3;1-2-18(25)23-10-14(11-23)24-9-13-7-6-12(8-16(13)20(24)26)15-4-3-5-17-19(15)22-29(27,28)21-17;1-2-17(23)20-11-15(12-20)22-10-13-6-7-14(9-16(13)19(22)25)21-8-4-3-5-18(21)24/h2,7-11,18,27H,1,3-6,12-14H2;5-11,19,29H,1,12-14H2,2-4H3;3-9,16,25H,1,10-12H2,2H3;3-9,16,25H,1,10-12,24H2,2H3;2-8,10,17,19H,1,9,11-14,24H2;4-9,17,25H,1,10-12H2,2-3H3;2-8,14,21-22H,1,9-11H2;2-9,15H,1,10-12H2
InChIKeyIUHWDXWIFDPOOG-UHFFFAOYSA-N
MW3068.01 g/mol
LogP21.83
Rot. Bonds25

About 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one

6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one (PubChem CID 158807905) has the molecular formula C178H173ClN24O22S and a molecular weight of 3068.01 g/mol. Its IUPAC name is 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
PubChem CID158807905
Molecular FormulaC178H173ClN24O22S
Molecular Weight3068.01 g/mol
Exact Mass3065.26
IUPAC Name6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one
SMILESC=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]c(Cl)cc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]c(N)cc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(C(C)(C)O)ccc4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(C)c4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5c4CCCC5)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5c4NS(=O)(=O)N5)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-n4ccccc4=O)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(N4CC(N)Cc5ccccc54)cc3C2=O)C1
InChIInChI=1S/C24H24N2O3.C24H26N2O3.C23H20ClN3O2.C23H22N4O2.C23H24N4O2.C22H22N2O3.C20H18N4O4S.C19H17N3O3/c1-2-23(28)25-13-18(14-25)26-12-17-8-7-16(10-22(17)24(26)29)21-11-19(27)9-15-5-3-4-6-20(15)21;1-5-22(27)25-13-19(14-25)26-12-17-8-7-16(10-21(17)23(26)28)20-11-18(24(3,4)29)9-6-15(20)2;2*1-3-21(28)26-11-16(12-26)27-10-15-6-5-14(8-17(15)23(27)29)22-13(2)4-7-19-18(22)9-20(24)25-19;1-2-22(28)25-13-19(14-25)27-11-16-7-8-18(10-20(16)23(27)29)26-12-17(24)9-15-5-3-4-6-21(15)26;1-4-21(26)23-11-17(12-23)24-10-16-6-5-15(8-20(16)22(24)27)19-9-18(25)7-13(2)14(19)3;1-2-18(25)23-10-14(11-23)24-9-13-7-6-12(8-16(13)20(24)26)15-4-3-5-17-19(15)22-29(27,28)21-17;1-2-17(23)20-11-15(12-20)22-10-13-6-7-14(9-16(13)19(22)25)21-8-4-3-5-18(21)24/h2,7-11,18,27H,1,3-6,12-14H2;5-11,19,29H,1,12-14H2,2-4H3;3-9,16,25H,1,10-12H2,2H3;3-9,16,25H,1,10-12,24H2,2H3;2-8,10,17,19H,1,9,11-14,24H2;4-9,17,25H,1,10-12H2,2-3H3;2-8,14,21-22H,1,9-11H2;2-9,15H,1,10-12H2
InChIKeyIUHWDXWIFDPOOG-UHFFFAOYSA-N
XLogP21.83
TPSA552.71 Ų
H-Bond Donors9
H-Bond Acceptors26
Rotatable Bonds25
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003068.01
LogP ≤ 521.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_E(2)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one 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 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one (CID 158807905) is 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one is C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]c(Cl)cc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4c(C)ccc5[nH]c(N)cc45)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(C(C)(C)O)ccc4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc(C)c4C)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cc(O)cc5c4CCCC5)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-c4cccc5c4NS(=O)(=O)N5)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(-n4ccccc4=O)cc3C2=O)C1.C=CC(=O)N1CC(N2Cc3ccc(N4CC(N)Cc5ccccc54)cc3C2=O)C1.
What is the InChIKey of 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
The InChIKey is IUHWDXWIFDPOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3.C24H26N2O3.C23H20ClN3O2.C23H22N4O2.C23H24N4O2.C22H22N2O3.C20H18N4O4S.C19H17N3O3/c1-2-23(28)25-13-18(14-25)26-12-17-8-7-16(10-22(17)24(26)29)21-11-19(27)9-15-5-3-4-6-20(15)21;1-5-22(27)25-13-19(14-25)26-12-17-8-7-16(10-21(17)23(26)28)20-11-18(24(3,4)29)9-6-15(20)2;2*1-3-21(28)26-11-16(12-26)27-10-15-6-5-14(8-17(15)23(27)29)22-13(2)4-7-19-18(22)9-20(24)25-19;1-2-22(28)25-13-19(14-25)27-11-16-7-8-18(10-20(16)23(27)29)26-12-17(24)9-15-5-3-4-6-21(15)26;1-4-21(26)23-11-17(12-23)24-10-16-6-5-15(8-20(16)22(24)27)19-9-18(25)7-13(2)14(19)3;1-2-18(25)23-10-14(11-23)24-9-13-7-6-12(8-16(13)20(24)26)15-4-3-5-17-19(15)22-29(27,28)21-17;1-2-17(23)20-11-15(12-20)22-10-13-6-7-14(9-16(13)19(22)25)21-8-4-3-5-18(21)24/h2,7-11,18,27H,1,3-6,12-14H2;5-11,19,29H,1,12-14H2,2-4H3;3-9,16,25H,1,10-12H2,2H3;3-9,16,25H,1,10-12,24H2,2H3;2-8,10,17,19H,1,9,11-14,24H2;4-9,17,25H,1,10-12H2,2-3H3;2-8,14,21-22H,1,9-11H2;2-9,15H,1,10-12H2.
What are the key properties of 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one?
6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one has a molecular weight of 3068.01 g/mol, XLogP of 21.83, 25 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-amino-3,4-dihydro-2H-quinolin-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-amino-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-chloro-5-methyl-1H-indol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2,2-dioxo-1,3-dihydro-2λ6,1,3-benzothiadiazol-4-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(5-hydroxy-2,3-dimethylphenyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-[5-(2-hydroxypropan-2-yl)-2-methylphenyl]-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(3-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one;6-(2-oxo-1-pyridinyl)-2-(1-prop-2-enoylazetidin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 158807905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).