(10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one

C145H137Cl3N30O12 — CID 165075945

IUPAC(10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one
SMILESCc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COc2cccc(c2)N3)C1=O
InChIInChI=1S/2C25H25N5O2.2C24H22ClN5O2.C24H23N5O2.C23H20ClN5O2/c2*1-17-7-5-8-18(2)22(17)30-15-20-14-26-24-27-21-10-6-9-19(13-21)16-32-12-4-3-11-29(25(30)31)23(20)28-24;2*1-16-6-4-9-20(25)21(16)30-14-18-13-26-23-27-19-8-5-7-17(12-19)15-32-11-3-2-10-29(24(30)31)22(18)28-23;1-16-7-5-8-17(2)21(16)29-15-18-14-25-23-26-19-9-6-10-20(13-19)31-12-4-3-11-28(24(29)30)22(18)27-23;1-15-6-4-9-19(24)20(15)29-14-16-13-25-22-26-17-7-5-8-18(12-17)31-11-3-2-10-28(23(29)30)21(16)27-22/h2*3-10,13-14H,11-12,15-16H2,1-2H3,(H,26,27,28);2*2-9,12-13H,10-11,14-15H2,1H3,(H,26,27,28);3-10,13-14H,11-12,15H2,1-2H3,(H,25,26,27);2-9,12-13H,10-11,14H2,1H3,(H,25,26,27)/b2*4-3-;2*3-2-;4-3-;3-2-
InChIKeyUHNPGUCSYDNGAE-SVSJHXCQSA-N
MW2598.25 g/mol
LogP29.98
Rot. Bonds6

About (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one

(10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one (PubChem CID 165075945) has the molecular formula C145H137Cl3N30O12 and a molecular weight of 2598.25 g/mol. Its IUPAC name is (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one.

Molecular Properties

Compound Name(10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one
PubChem CID165075945
Molecular FormulaC145H137Cl3N30O12
Molecular Weight2598.25 g/mol
Exact Mass2595.01
IUPAC Name(10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one
SMILESCc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COc2cccc(c2)N3)C1=O
InChIInChI=1S/2C25H25N5O2.2C24H22ClN5O2.C24H23N5O2.C23H20ClN5O2/c2*1-17-7-5-8-18(2)22(17)30-15-20-14-26-24-27-21-10-6-9-19(13-21)16-32-12-4-3-11-29(25(30)31)23(20)28-24;2*1-16-6-4-9-20(25)21(16)30-14-18-13-26-23-27-19-8-5-7-17(12-19)15-32-11-3-2-10-29(24(30)31)22(18)28-23;1-16-7-5-8-17(2)21(16)29-15-18-14-25-23-26-19-9-6-10-20(13-19)31-12-4-3-11-28(24(29)30)22(18)27-23;1-15-6-4-9-19(24)20(15)29-14-16-13-25-22-26-17-7-5-8-18(12-17)31-11-3-2-10-28(23(29)30)21(16)27-22/h2*3-10,13-14H,11-12,15-16H2,1-2H3,(H,26,27,28);2*2-9,12-13H,10-11,14-15H2,1H3,(H,26,27,28);3-10,13-14H,11-12,15H2,1-2H3,(H,25,26,27);2-9,12-13H,10-11,14H2,1H3,(H,25,26,27)/b2*4-3-;2*3-2-;4-3-;3-2-
InChIKeyUHNPGUCSYDNGAE-SVSJHXCQSA-N
XLogP29.98
TPSA423.54 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds6
Heavy Atoms190
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002598.25
LogP ≤ 529.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one?
The IUPAC name of (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one (CID 165075945) is (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one.
What is the SMILES notation for (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one?
The canonical SMILES for (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one is Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(C)c1N1Cc2cnc3nc2N(C/C=C\COc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COCc2cccc(c2)N3)C1=O.Cc1cccc(Cl)c1N1Cc2cnc3nc2N(C/C=C\COc2cccc(c2)N3)C1=O.
What is the InChIKey of (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one?
The InChIKey is UHNPGUCSYDNGAE-SVSJHXCQSA-N. The full InChI is InChI=1S/2C25H25N5O2.2C24H22ClN5O2.C24H23N5O2.C23H20ClN5O2/c2*1-17-7-5-8-18(2)22(17)30-15-20-14-26-24-27-21-10-6-9-19(13-21)16-32-12-4-3-11-29(25(30)31)23(20)28-24;2*1-16-6-4-9-20(25)21(16)30-14-18-13-26-23-27-19-8-5-7-17(12-19)15-32-11-3-2-10-29(24(30)31)22(18)28-23;1-16-7-5-8-17(2)21(16)29-15-18-14-25-23-26-19-9-6-10-20(13-19)31-12-4-3-11-28(24(29)30)22(18)27-23;1-15-6-4-9-19(24)20(15)29-14-16-13-25-22-26-17-7-5-8-18(12-17)31-11-3-2-10-28(23(29)30)21(16)27-22/h2*3-10,13-14H,11-12,15-16H2,1-2H3,(H,26,27,28);2*2-9,12-13H,10-11,14-15H2,1H3,(H,26,27,28);3-10,13-14H,11-12,15H2,1-2H3,(H,25,26,27);2-9,12-13H,10-11,14H2,1H3,(H,25,26,27)/b2*4-3-;2*3-2-;4-3-;3-2-.
What are the key properties of (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one?
(10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one has a molecular weight of 2598.25 g/mol, XLogP of 29.98, 6 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-15-(2-chloro-6-methylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2-chloro-6-methylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(10Z)-15-(2,6-dimethylphenyl)-8-oxa-2,13,15,19,20-pentazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,10,17,20-heptaen-14-one;(11Z)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one;(11E)-16-(2,6-dimethylphenyl)-9-oxa-2,14,16,20,21-pentazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3,5,7(23),11,18,21-heptaen-15-one is sourced from PubChem (CID 165075945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).