10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate

C58H47Cl4N9O6 — CID 159941115

About 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate

10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate (PubChem CID 159941115) has the molecular formula C58H47Cl4N9O6 and a molecular weight of 1107.88 g/mol. Its IUPAC name is 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate.

Molecular Properties

• Compound Name: 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate
• PubChem CID: 159941115
• Molecular Formula: C58H47Cl4N9O6
• Molecular Weight: 1107.88 g/mol
• Exact Mass: 1105.24
• IUPAC Name: 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate
• SMILES: C=C1OC(O)c2c1ncc1c2c2ccccc2n1Cc1cc(Cl)ccc1Cl.NNC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCCN1CCOCC1)c1cc2c(cn1)[nH]c1ccccc12
• InChI: InChI=1S/C21H14Cl2N2O2.C19H14Cl2N4O.C18H19N3O3/c1-11-20-19(21(26)27-11)18-14-4-2-3-5-16(14)25(17(18)9-24-20)10-12-8-13(22)6-7-15(12)23;20-12-5-6-15(21)11(7-12)10-25-17-4-2-1-3-13(17)14-8-16(19(26)24-22)23-9-18(14)25;22-18(24-10-7-21-5-8-23-9-6-21)16-11-14-13-3-1-2-4-15(13)20-17(14)12-19-16/h2-9,21,26H,1,10H2;1-9H,10,22H2,(H,24,26);1-4,11-12,20H,5-10H2
• InChIKey: OAWWZPRTPVLRGB-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 187.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1107.88
LogP ≤ 5	11.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate?

The IUPAC name of 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate (CID 159941115) is 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate.

What is the SMILES notation for 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate?

The canonical SMILES for 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate is C=C1OC(O)c2c1ncc1c2c2ccccc2n1Cc1cc(Cl)ccc1Cl.NNC(=O)c1cc2c3ccccc3n(Cc3cc(Cl)ccc3Cl)c2cn1.O=C(OCCN1CCOCC1)c1cc2c(cn1)[nH]c1ccccc12.

What is the InChIKey of 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate?

The InChIKey is OAWWZPRTPVLRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N2O2.C19H14Cl2N4O.C18H19N3O3/c1-11-20-19(21(26)27-11)18-14-4-2-3-5-16(14)25(17(18)9-24-20)10-12-8-13(22)6-7-15(12)23;20-12-5-6-15(21)11(7-12)10-25-17-4-2-1-3-13(17)14-8-16(19(26)24-22)23-9-18(14)25;22-18(24-10-7-21-5-8-23-9-6-21)16-11-14-13-3-1-2-4-15(13)20-17(14)12-19-16/h2-9,21,26H,1,10H2;1-9H,10,22H2,(H,24,26);1-4,11-12,20H,5-10H2.

What are the key properties of 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate?

10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate has a molecular weight of 1107.88 g/mol, XLogP of 11.89, 9 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[(2,5-dichlorophenyl)methyl]-5-methylidene-4-oxa-7,10-diazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11,13,15-hexaen-3-ol;9-[(2,5-dichlorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydrazide;2-morpholin-4-ylethyl 9H-pyrido[3,4-b]indole-3-carboxylate is sourced from PubChem (CID 159941115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).