1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C104H81Cl10N11O8 — CID 160627199

About 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 160627199) has the molecular formula C104H81Cl10N11O8 and a molecular weight of 1967.39 g/mol. Its IUPAC name is 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 160627199
• Molecular Formula: C104H81Cl10N11O8
• Molecular Weight: 1967.39 g/mol
• Exact Mass: 1961.32
• IUPAC Name: 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• SMILES: CC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CC(C)OC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CN(C)CCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.OCc1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1
• InChI: InChI=1S/C23H21Cl2N3O2.C22H18Cl2N2O2.C20H14Cl2N2O2.C20H14Cl2N2O.C19H14Cl2N2O/c1-27(2)9-10-30-23(29)20-12-18-17-5-3-4-6-21(17)28(22(18)13-26-20)14-15-11-16(24)7-8-19(15)25;1-13(2)28-22(27)19-10-17-16-5-3-4-6-20(16)26(21(17)11-25-19)12-14-9-15(23)7-8-18(14)24;1-26-20(25)17-9-15-14-4-2-3-5-18(14)24(19(15)10-23-17)11-12-8-13(21)6-7-16(12)22;1-12(25)18-9-16-15-4-2-3-5-19(15)24(20(16)10-23-18)11-13-8-14(21)6-7-17(13)22;20-13-5-6-17(21)12(7-13)10-23-18-4-2-1-3-15(18)16-8-14(11-24)22-9-19(16)23/h3-8,11-13H,9-10,14H2,1-2H3;3-11,13H,12H2,1-2H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1-9,24H,10-11H2
• InChIKey: RHLPGQWULOKBTQ-UHFFFAOYSA-N
• XLogP: 27.49
• TPSA: 208.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 19
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.39
LogP ≤ 5	27.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 160627199) is 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is CC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CC(C)OC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CN(C)CCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.OCc1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.

What is the InChIKey of 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is RHLPGQWULOKBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2.C22H18Cl2N2O2.C20H14Cl2N2O2.C20H14Cl2N2O.C19H14Cl2N2O/c1-27(2)9-10-30-23(29)20-12-18-17-5-3-4-6-21(17)28(22(18)13-26-20)14-15-11-16(24)7-8-19(15)25;1-13(2)28-22(27)19-10-17-16-5-3-4-6-20(16)26(21(17)11-25-19)12-14-9-15(23)7-8-18(14)24;1-26-20(25)17-9-15-14-4-2-3-5-18(14)24(19(15)10-23-17)11-12-8-13(21)6-7-16(12)22;1-12(25)18-9-16-15-4-2-3-5-19(15)24(20(16)10-23-18)11-13-8-14(21)6-7-17(13)22;20-13-5-6-17(21)12(7-13)10-23-18-4-2-1-3-15(18)16-8-14(11-24)22-9-19(16)23/h3-8,11-13H,9-10,14H2,1-2H3;3-11,13H,12H2,1-2H3;2-10H,11H2,1H3;2-10H,11H2,1H3;1-9,24H,10-11H2.

What are the key properties of 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 1967.39 g/mol, XLogP of 27.49, 19 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]ethanone;[9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indol-3-yl]methanol;2-(dimethylamino)ethyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;methyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate;propan-2-yl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 160627199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).