1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium

C57H50ClN8O8Pd- — CID 157477879

About 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium

1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium (PubChem CID 157477879) has the molecular formula C57H50ClN8O8Pd- and a molecular weight of 1116.95 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium.

Molecular Properties

• Compound Name: 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium
• PubChem CID: 157477879
• Molecular Formula: C57H50ClN8O8Pd-
• Molecular Weight: 1116.95 g/mol
• Exact Mass: 1115.25
• IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium
• SMILES: COc1cc2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2cc1OC.COc1cc2nc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc(Cl)c2cc1OC.[CH3-].[Pd]
• InChI: InChI=1S/C28H23ClN4O4.C28H24N4O4.CH3.Pd/c1-34-22-12-18-20(13-23(22)35-2)31-28(32-27(18)29)33-10-9-17-16-5-3-4-6-19(16)30-25(17)26(33)15-7-8-21-24(11-15)37-14-36-21;1-33-23-12-17-14-29-28(31-21(17)13-24(23)34-2)32-10-9-19-18-5-3-4-6-20(18)30-26(19)27(32)16-7-8-22-25(11-16)36-15-35-22;;/h3-8,11-13,26,30H,9-10,14H2,1-2H3;3-8,11-14,27,30H,9-10,15H2,1-2H3;1H3;/q;;-1
• InChIKey: TVMASNIPPVOYMV-UHFFFAOYSA-N
• XLogP: 11.12
• TPSA: 163.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1116.95
LogP ≤ 5	11.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium?

The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium (CID 157477879) is 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium.

What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium?

The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium is COc1cc2cnc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc2cc1OC.COc1cc2nc(N3CCc4c([nH]c5ccccc45)C3c3ccc4c(c3)OCO4)nc(Cl)c2cc1OC.[CH3-].[Pd].

What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium?

The InChIKey is TVMASNIPPVOYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23ClN4O4.C28H24N4O4.CH3.Pd/c1-34-22-12-18-20(13-23(22)35-2)31-28(32-27(18)29)33-10-9-17-16-5-3-4-6-19(16)30-25(17)26(33)15-7-8-21-24(11-15)37-14-36-21;1-33-23-12-17-14-29-28(31-21(17)13-24(23)34-2)32-10-9-19-18-5-3-4-6-20(18)30-26(19)27(32)16-7-8-22-25(11-16)36-15-35-22;;/h3-8,11-13,26,30H,9-10,14H2,1-2H3;3-8,11-14,27,30H,9-10,15H2,1-2H3;1H3;/q;;-1;.

What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium?

1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium has a molecular weight of 1116.95 g/mol, XLogP of 11.12, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,3-benzodioxol-5-yl)-2-(4-chloro-6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;1-(1,3-benzodioxol-5-yl)-2-(6,7-dimethoxyquinazolin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole;carbanide;palladium is sourced from PubChem (CID 157477879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).