13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

C114H118BrN23O10 — CID 159738644

IUPAC13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESC=CCC.C=Cc1cnc2c(c1)C(=O)N(C)c1c(C)cc(C)nc1N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(Br)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCO)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCOc3cc[n+]([O-])c4ccccc34)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCOc3ccnc4ccccc34)cc1C(=O)N2C.O=c1cc[nH]c2ccccc12
InChIInChI=1S/C26H25N5O3.C26H25N5O2.C17H20N4O2.C17H18N4O.C15H15BrN4O.C9H7NO.C4H8/c1-16-13-17(2)28-25-23(16)29(3)26(32)20-14-18(15-27-24(20)30(25)4)10-12-34-22-9-11-31(33)21-8-6-5-7-19(21)22;1-16-13-17(2)29-25-23(16)30(3)26(32)20-14-18(15-28-24(20)31(25)4)10-12-33-22-9-11-27-21-8-6-5-7-19(21)22;1-10-7-11(2)19-16-14(10)20(3)17(23)13-8-12(5-6-22)9-18-15(13)21(16)4;1-6-12-8-13-15(18-9-12)21(5)16-14(20(4)17(13)22)10(2)7-11(3)19-16;1-8-5-9(2)18-14-12(8)19(3)15(21)11-6-10(16)7-17-13(11)20(14)4;11-9-5-6-10-8-4-2-1-3-7(8)9;1-3-4-2/h5-9,11,13-15H,10,12H2,1-4H3;5-9,11,13-15H,10,12H2,1-4H3;7-9,22H,5-6H2,1-4H3;6-9H,1H2,2-5H3;5-7H,1-4H3;1-6H,(H,10,11);3H,1,4H2,2H3
InChIKeyNCDSPLYQIIVFET-UHFFFAOYSA-N
MW2050.25 g/mol
LogP19.89
Rot. Bonds12

About 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (PubChem CID 159738644) has the molecular formula C114H118BrN23O10 and a molecular weight of 2050.25 g/mol. Its IUPAC name is 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.

Molecular Properties

Compound Name13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
PubChem CID159738644
Molecular FormulaC114H118BrN23O10
Molecular Weight2050.25 g/mol
Exact Mass2047.86
IUPAC Name13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
SMILESC=CCC.C=Cc1cnc2c(c1)C(=O)N(C)c1c(C)cc(C)nc1N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(Br)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCO)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCOc3cc[n+]([O-])c4ccccc34)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCOc3ccnc4ccccc34)cc1C(=O)N2C.O=c1cc[nH]c2ccccc12
InChIInChI=1S/C26H25N5O3.C26H25N5O2.C17H20N4O2.C17H18N4O.C15H15BrN4O.C9H7NO.C4H8/c1-16-13-17(2)28-25-23(16)29(3)26(32)20-14-18(15-27-24(20)30(25)4)10-12-34-22-9-11-31(33)21-8-6-5-7-19(21)22;1-16-13-17(2)29-25-23(16)30(3)26(32)20-14-18(15-28-24(20)31(25)4)10-12-33-22-9-11-27-21-8-6-5-7-19(21)22;1-10-7-11(2)19-16-14(10)20(3)17(23)13-8-12(5-6-22)9-18-15(13)21(16)4;1-6-12-8-13-15(18-9-12)21(5)16-14(20(4)17(13)22)10(2)7-11(3)19-16;1-8-5-9(2)18-14-12(8)19(3)15(21)11-6-10(16)7-17-13(11)20(14)4;11-9-5-6-10-8-4-2-1-3-7(8)9;1-3-4-2/h5-9,11,13-15H,10,12H2,1-4H3;5-9,11,13-15H,10,12H2,1-4H3;7-9,22H,5-6H2,1-4H3;6-9H,1H2,2-5H3;5-7H,1-4H3;1-6H,(H,10,11);3H,1,4H2,2H3
InChIKeyNCDSPLYQIIVFET-UHFFFAOYSA-N
XLogP19.89
TPSA358.03 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002050.25
LogP ≤ 519.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one with MolForge

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Launch Full Analysis

Related Compounds

Bilr 355
CID 3010663
6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-2-fluoro-5,11-dihydro-4-methyl-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-
CID 3010653
5,11-Dihydro-11-ethyl-2-fluoro-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}-ethyl}-6H-dipyrido[3,2-b:2',3'-e] [l,4]diazepin-6-one
CID 3010655
6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-ethyl-5,11-dihydro-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-2-(trifluoromethyl)-
CID 3010671
5,11-dihydro-11-ethyl-4-methyl-8-{2-(4-quinolinyloxy)ethyl}-6H-dipyrido[3,2-b:2',3'-e] [1,4]diazepin-6-one
CID 3010652
5,11-Dihydro-11-ethyl-4-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 3010656
6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 11-cyclopropyl-5,11-dihydro-4-methyl-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-
CID 3010658
6H-Dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one, 5,11-diethyl-5,11-dihydro-8-[2-[(1-oxido-4-quinolinyl)oxy]ethyl]-
CID 3010669
5,11-Dihydro-2,5-dimethyl-11-ethyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-6h-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
CID 3010670
11-Ethyl-5-Methyl-8-[2-(1-Oxidanylquinolin-4-Yl)oxyethyl]dipyrido[3,2-[1,4]diazepin-6-One
CID 137348004
2-Ethyl-5-(fluoromethyl)-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
CID 18466627
5,11-Dihydro-11-ethyl-5-methyl-8-{2-{(1-oxido-4-quinolinyl)oxy}ethyl}-2-(trifluoromethyl)-6h-dipyrido[3,2-b:2',3'-e] [1,4] diazepin-6-one
CID 23119571

Frequently Asked Questions

What is the IUPAC name of 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The IUPAC name of 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one (CID 159738644) is 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
What is the SMILES notation for 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The canonical SMILES for 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is C=CCC.C=Cc1cnc2c(c1)C(=O)N(C)c1c(C)cc(C)nc1N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(Br)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCO)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCOc3cc[n+]([O-])c4ccccc34)cc1C(=O)N2C.Cc1cc(C)c2c(n1)N(C)c1ncc(CCOc3ccnc4ccccc34)cc1C(=O)N2C.O=c1cc[nH]c2ccccc12.
What is the InChIKey of 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
The InChIKey is NCDSPLYQIIVFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C26H25N5O2.C17H20N4O2.C17H18N4O.C15H15BrN4O.C9H7NO.C4H8/c1-16-13-17(2)28-25-23(16)29(3)26(32)20-14-18(15-27-24(20)30(25)4)10-12-34-22-9-11-31(33)21-8-6-5-7-19(21)22;1-16-13-17(2)29-25-23(16)30(3)26(32)20-14-18(15-28-24(20)31(25)4)10-12-33-22-9-11-27-21-8-6-5-7-19(21)22;1-10-7-11(2)19-16-14(10)20(3)17(23)13-8-12(5-6-22)9-18-15(13)21(16)4;1-6-12-8-13-15(18-9-12)21(5)16-14(20(4)17(13)22)10(2)7-11(3)19-16;1-8-5-9(2)18-14-12(8)19(3)15(21)11-6-10(16)7-17-13(11)20(14)4;11-9-5-6-10-8-4-2-1-3-7(8)9;1-3-4-2/h5-9,11,13-15H,10,12H2,1-4H3;5-9,11,13-15H,10,12H2,1-4H3;7-9,22H,5-6H2,1-4H3;6-9H,1H2,2-5H3;5-7H,1-4H3;1-6H,(H,10,11);3H,1,4H2,2H3.
What are the key properties of 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one?
13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one has a molecular weight of 2050.25 g/mol, XLogP of 19.89, 12 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 13-bromo-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;but-1-ene;13-ethenyl-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;13-(2-hydroxyethyl)-2,5,7,9-tetramethyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;1H-quinolin-4-one;2,5,7,9-tetramethyl-13-[2-(1-oxidoquinolin-1-ium-4-yl)oxyethyl]-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one;2,5,7,9-tetramethyl-13-(2-quinolin-4-yloxyethyl)-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one is sourced from PubChem (CID 159738644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).