(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium

C129H160N10O12+6 — CID 160668462

About (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium

(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium (PubChem CID 160668462) has the molecular formula C129H160N10O12+6 and a molecular weight of 2042.76 g/mol. Its IUPAC name is (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium.

Molecular Properties

• Compound Name: (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium
• PubChem CID: 160668462
• Molecular Formula: C129H160N10O12+6
• Molecular Weight: 2042.76 g/mol
• Exact Mass: 2041.22
• IUPAC Name: (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium
• SMILES: CC(C)=C(C)C(=O)CC[N+](C)(C)Cc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C)c1.CC(C)=C(C)C(=O)CC[N+](C)(C)Cc1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1.CC(C)=C(C)C(=O)CC[N+](C)(C)Cc1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1.COc1cc2nc(C[N+](C)(C)CCC(=O)C(C)=C(C)C)c(=O)n(C)c2cc1OC
• InChI: InChI=1S/C42H51N3O2.C34H43N3O2.C31H33NO4.C22H32N3O4/c1-27(2)28(3)37(46)18-23-45(4,5)26-29-14-16-30(17-15-29)38-35-24-31-10-6-19-43-21-8-12-33(39(31)43)41(35)47-42-34-13-9-22-44-20-7-11-32(40(34)44)25-36(38)42;1-23(2)24(3)31(38)18-19-37(8,9)22-25-10-12-26(13-11-25)34-29-16-14-27(35(4)5)20-32(29)39-33-21-28(36(6)7)15-17-30(33)34;1-19(2)21(4)28(35)13-14-32(5,6)18-22-7-10-25(20(3)15-22)31-26-11-8-23(33)16-29(26)36-30-17-24(34)9-12-27(30)31;1-14(2)15(3)19(26)9-10-25(5,6)13-17-22(27)24(4)18-12-21(29-8)20(28-7)11-16(18)23-17/h14-17,24-25H,6-13,18-23,26H2,1-5H3;10-17,20-21H,18-19,22H2,1-9H3;7-12,15-17H,13-14,18H2,1-6H3;11-12H,9-10,13H2,1-8H3/q2*+2;;+1/p+1
• InChIKey: RMPUEHRNVOVDMF-UHFFFAOYSA-O
• XLogP: 21.52
• TPSA: 206.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.76
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium?

The IUPAC name of (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium (CID 160668462) is (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium.

What is the SMILES notation for (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium?

The canonical SMILES for (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium is CC(C)=C(C)C(=O)CC[N+](C)(C)Cc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C)c1.CC(C)=C(C)C(=O)CC[N+](C)(C)Cc1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1.CC(C)=C(C)C(=O)CC[N+](C)(C)Cc1ccc(C2=c3cc4c5c(c3Oc3c2cc2c6c3CCCN6CCC2)CCC[N+]=5CCC4)cc1.COc1cc2nc(C[N+](C)(C)CCC(=O)C(C)=C(C)C)c(=O)n(C)c2cc1OC.

What is the InChIKey of (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium?

The InChIKey is RMPUEHRNVOVDMF-UHFFFAOYSA-O. The full InChI is InChI=1S/C42H51N3O2.C34H43N3O2.C31H33NO4.C22H32N3O4/c1-27(2)28(3)37(46)18-23-45(4,5)26-29-14-16-30(17-15-29)38-35-24-31-10-6-19-43-21-8-12-33(39(31)43)41(35)47-42-34-13-9-22-44-20-7-11-32(40(34)44)25-36(38)42;1-23(2)24(3)31(38)18-19-37(8,9)22-25-10-12-26(13-11-25)34-29-16-14-27(35(4)5)20-32(29)39-33-21-28(36(6)7)15-17-30(33)34;1-19(2)21(4)28(35)13-14-32(5,6)18-22-7-10-25(20(3)15-22)31-26-11-8-23(33)16-29(26)36-30-17-24(34)9-12-27(30)31;1-14(2)15(3)19(26)9-10-25(5,6)13-17-22(27)24(4)18-12-21(29-8)20(28-7)11-16(18)23-17/h14-17,24-25H,6-13,18-23,26H2,1-5H3;10-17,20-21H,18-19,22H2,1-9H3;7-12,15-17H,13-14,18H2,1-6H3;11-12H,9-10,13H2,1-8H3/q2*+2;;+1/p+1.

What are the key properties of (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium?

(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium has a molecular weight of 2042.76 g/mol, XLogP of 21.52, 30 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]phenyl]methyl-(4,5-dimethyl-3-oxohex-4-enyl)-dimethylazanium;(4,5-dimethyl-3-oxohex-4-enyl)-dimethyl-[[4-(3-oxa-23-aza-9-azoniaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4,9(28),13,15,18-heptaen-16-yl)phenyl]methyl]azanium;(4,5-dimethyl-3-oxohex-4-enyl)-[[4-(3-hydroxy-6-oxoxanthen-9-yl)-3-methylphenyl]methyl]-dimethylazanium is sourced from PubChem (CID 160668462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).