3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

C114H120Br2Cl2FIN6O18 — CID 158687359

About 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (PubChem CID 158687359) has the molecular formula C114H120Br2Cl2FIN6O18 and a molecular weight of 2238.85 g/mol. Its IUPAC name is 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

Molecular Properties

• Compound Name: 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
• PubChem CID: 158687359
• Molecular Formula: C114H120Br2Cl2FIN6O18
• Molecular Weight: 2238.85 g/mol
• Exact Mass: 2234.54
• IUPAC Name: 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
• SMILES: COc1c(O)c(Br)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)c(Cl)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)c(F)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)c(I)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)cc2c3c1-c1cc(C)c(O)c(Br)c1CC3N(C)CC2.COc1c(O)cc2c3c1-c1cc(C)c(O)c(Cl)c1CC3N(C)CC2
• InChI: InChI=1S/2C19H20BrNO3.2C19H20ClNO3.C19H20FNO3.C19H20INO3/c1-9-6-12-10(8-14(9)22)7-13-15-11(4-5-21(13)2)17(20)18(23)19(24-3)16(12)15;1-9-6-11-12(17(20)18(9)23)8-13-15-10(4-5-21(13)2)7-14(22)19(24-3)16(11)15;1-9-6-12-10(8-14(9)22)7-13-15-11(4-5-21(13)2)17(20)18(23)19(24-3)16(12)15;1-9-6-11-12(17(20)18(9)23)8-13-15-10(4-5-21(13)2)7-14(22)19(24-3)16(11)15;2*1-9-6-12-10(8-14(9)22)7-13-15-11(4-5-21(13)2)17(20)18(23)19(24-3)16(12)15/h6,8,13,22-23H,4-5,7H2,1-3H3;6-7,13,22-23H,4-5,8H2,1-3H3;6,8,13,22-23H,4-5,7H2,1-3H3;6-7,13,22-23H,4-5,8H2,1-3H3;2*6,8,13,22-23H,4-5,7H2,1-3H3
• InChIKey: IFXHETOIEGNVSZ-UHFFFAOYSA-N
• XLogP: 22.58
• TPSA: 317.58 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 24
• Rotatable Bonds: 6
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2238.85
LogP ≤ 5	22.58
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The IUPAC name of 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CID 158687359) is 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

What is the SMILES notation for 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The canonical SMILES for 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is COc1c(O)c(Br)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)c(Cl)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)c(F)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)c(I)c2c3c1-c1cc(C)c(O)cc1CC3N(C)CC2.COc1c(O)cc2c3c1-c1cc(C)c(O)c(Br)c1CC3N(C)CC2.COc1c(O)cc2c3c1-c1cc(C)c(O)c(Cl)c1CC3N(C)CC2.

What is the InChIKey of 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The InChIKey is IFXHETOIEGNVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20BrNO3.2C19H20ClNO3.C19H20FNO3.C19H20INO3/c1-9-6-12-10(8-14(9)22)7-13-15-11(4-5-21(13)2)17(20)18(23)19(24-3)16(12)15;1-9-6-11-12(17(20)18(9)23)8-13-15-10(4-5-21(13)2)7-14(22)19(24-3)16(11)15;1-9-6-12-10(8-14(9)22)7-13-15-11(4-5-21(13)2)17(20)18(23)19(24-3)16(12)15;1-9-6-11-12(17(20)18(9)23)8-13-15-10(4-5-21(13)2)7-14(22)19(24-3)16(11)15;2*1-9-6-12-10(8-14(9)22)7-13-15-11(4-5-21(13)2)17(20)18(23)19(24-3)16(12)15/h6,8,13,22-23H,4-5,7H2,1-3H3;6-7,13,22-23H,4-5,8H2,1-3H3;6,8,13,22-23H,4-5,7H2,1-3H3;6-7,13,22-23H,4-5,8H2,1-3H3;2*6,8,13,22-23H,4-5,7H2,1-3H3.

What are the key properties of 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol has a molecular weight of 2238.85 g/mol, XLogP of 22.58, 6 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-bromo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;8-chloro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-fluoro-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol;3-iodo-1-methoxy-6,10-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is sourced from PubChem (CID 158687359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).