2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

C165H174N8O37 — CID 159501519

About 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol

2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (PubChem CID 159501519) has the molecular formula C165H174N8O37 and a molecular weight of 2861.23 g/mol. Its IUPAC name is 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.

Molecular Properties

• Compound Name: 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
• PubChem CID: 159501519
• Molecular Formula: C165H174N8O37
• Molecular Weight: 2861.23 g/mol
• Exact Mass: 2859.20
• IUPAC Name: 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
• SMILES: COC1=Cc2ccnc3cc4cc(OC)c(OC)cc4c(c23)C1=O.COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31.COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C=O.COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(CCOc1ccccc1OC)CC3.COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)NCC3.COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C=O)CC3.COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C=O)CC3.COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)NCC3
• InChI: InChI=1S/C28H31NO6.2C21H23NO5.C20H23NO4.C19H19NO5.C19H21NO4.C19H15NO4.C18H19NO4/c1-31-21-7-5-6-8-22(21)35-12-11-29-10-9-17-14-25(34-4)28(30)27-19-16-24(33-3)23(32-2)15-18(19)13-20(29)26(17)27;2*1-24-16-9-13-7-15-19-12(5-6-22(15)11-23)8-18(26-3)21(27-4)20(19)14(13)10-17(16)25-2;1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2;1-24-16-8-12-11(7-14(16)22)5-13-17-10(3-4-20(13)9-21)6-15(23)19(25-2)18(12)17;2*1-22-14-8-11-6-13-17-10(4-5-20-13)7-16(24-3)19(21)18(17)12(11)9-15(14)23-2;1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h5-8,14-16,20,30H,9-13H2,1-4H3;2*8-11,15H,5-7H2,1-4H3;8-10,14,21H,5-7H2,1-4H3;6-9,13,22-23H,3-5H2,1-2H3;7-9,13,20-21H,4-6H2,1-3H3;4-9H,1-3H3;6-8,12,19-21H,3-5H2,1-2H3
• InChIKey: LZLDGZDCIZOEPD-UHFFFAOYSA-N
• XLogP: 25.09
• TPSA: 500.81 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 42
• Rotatable Bonds: 33
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2861.23
LogP ≤ 5	25.09
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?

The IUPAC name of 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol (CID 159501519) is 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol.

What is the SMILES notation for 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?

The canonical SMILES for 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is COC1=Cc2ccnc3cc4cc(OC)c(OC)cc4c(c23)C1=O.COc1cc2c(cc1O)CC1NCCc3cc(O)c(OC)c-2c31.COc1cc2c(cc1O)CC1c3c(cc(O)c(OC)c3-2)CCN1C=O.COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)N(CCOc1ccccc1OC)CC3.COc1cc2c(cc1OC)-c1c(O)c(OC)cc3c1C(C2)NCC3.COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C=O)CC3.COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C=O)CC3.COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)NCC3.

What is the InChIKey of 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?

The InChIKey is LZLDGZDCIZOEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO6.2C21H23NO5.C20H23NO4.C19H19NO5.C19H21NO4.C19H15NO4.C18H19NO4/c1-31-21-7-5-6-8-22(21)35-12-11-29-10-9-17-14-25(34-4)28(30)27-19-16-24(33-3)23(32-2)15-18(19)13-20(29)26(17)27;2*1-24-16-9-13-7-15-19-12(5-6-22(15)11-23)8-18(26-3)21(27-4)20(19)14(13)10-17(16)25-2;1-22-15-9-12-7-14-18-11(5-6-21-14)8-17(24-3)20(25-4)19(18)13(12)10-16(15)23-2;1-24-16-8-12-11(7-14(16)22)5-13-17-10(3-4-20(13)9-21)6-15(23)19(25-2)18(12)17;2*1-22-14-8-11-6-13-17-10(4-5-20-13)7-16(24-3)19(21)18(17)12(11)9-15(14)23-2;1-22-15-8-11-10(7-13(15)20)5-12-16-9(3-4-19-12)6-14(21)18(23-2)17(11)16/h5-8,14-16,20,30H,9-13H2,1-4H3;2*8-11,15H,5-7H2,1-4H3;8-10,14,21H,5-7H2,1-4H3;6-9,13,22-23H,3-5H2,1-2H3;7-9,13,20-21H,4-6H2,1-3H3;4-9H,1-3H3;6-8,12,19-21H,3-5H2,1-2H3.

What are the key properties of 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol?

2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol has a molecular weight of 2861.23 g/mol, XLogP of 25.09, 33 rotatable bonds, 9 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-dihydroxy-1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde;1,10-dimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline;bis(1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carbaldehyde);2,9,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol;4,5,15-trimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9,11,13(17),14-octaen-16-one;2,9,10-trimethoxy-6-[2-(2-methoxyphenoxy)ethyl]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol is sourced from PubChem (CID 159501519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).