9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

C107H87Cl10N11O8 — CID 159200167

About 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate

9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (PubChem CID 159200167) has the molecular formula C107H87Cl10N11O8 and a molecular weight of 2009.47 g/mol. Its IUPAC name is 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 159200167
• Molecular Formula: C107H87Cl10N11O8
• Molecular Weight: 2009.47 g/mol
• Exact Mass: 2003.36
• IUPAC Name: 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate
• SMILES: CC(C)OC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CCc1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CN(C)CCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1
• InChI: InChI=1S/C23H21Cl2N3O2.2C22H18Cl2N2O2.C20H14Cl2N2O2.C20H16Cl2N2/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;1-2-9-28-22(27)19-11-17-16-5-3-4-6-20(16)26(21(17)12-25-19)13-14-10-15(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;1-2-15-10-17-16-5-3-4-6-19(16)24(20(17)11-23-15)12-13-9-14(21)7-8-18(13)22/h3-8,11-13H,9-10,14H2,1-2H3;3-11,13H,12H2,1-2H3;3-8,10-12H,2,9,13H2,1H3;2-10H,11H2,1H3;3-11H,2,12H2,1H3
• InChIKey: KPEKZEMZUQCMNT-UHFFFAOYSA-N
• XLogP: 28.92
• TPSA: 197.54 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 21
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2009.47
LogP ≤ 5	28.92
H-Bond Donors ≤ 5	0
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 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate (CID 159200167) is 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is CC(C)OC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CCCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CCc1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.CN(C)CCOC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.COC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.

What is the InChIKey of 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is KPEKZEMZUQCMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N3O2.2C22H18Cl2N2O2.C20H14Cl2N2O2.C20H16Cl2N2/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;1-2-9-28-22(27)19-11-17-16-5-3-4-6-20(16)26(21(17)12-25-19)13-14-10-15(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;1-2-15-10-17-16-5-3-4-6-19(16)24(20(17)11-23-15)12-13-9-14(21)7-8-18(13)22/h3-8,11-13H,9-10,14H2,1-2H3;3-11,13H,12H2,1-2H3;3-8,10-12H,2,9,13H2,1H3;2-10H,11H2,1H3;3-11H,2,12H2,1H3.

What are the key properties of 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate?

9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 2009.47 g/mol, XLogP of 28.92, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[(2,5-dichlorophenyl)methyl]-3-ethylpyrido[3,4-b]indole;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;propyl 9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 159200167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).