N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

C29H24ClN3O4 — CID 4041391

About N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (PubChem CID 4041391) has the molecular formula C29H24ClN3O4 and a molecular weight of 513.98 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
• PubChem CID: 4041391
• Molecular Formula: C29H24ClN3O4
• Molecular Weight: 513.98 g/mol
• Exact Mass: 513.15
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
• SMILES: COc1ccc(Cl)cc1NC(=O)C1C2C(=O)N(c3ccc(C)cc3)C(=O)C2C2c3ccccc3C=CN12
• InChI: InChI=1S/C29H24ClN3O4/c1-16-7-10-19(11-8-16)33-28(35)23-24(29(33)36)26(27(34)31-21-15-18(30)9-12-22(21)37-2)32-14-13-17-5-3-4-6-20(17)25(23)32/h3-15,23-26H,1-2H3,(H,31,34)
• InChIKey: VVNDTHVSNPMBLA-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 78.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.98
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide (CID 4041391) is N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is COc1ccc(Cl)cc1NC(=O)C1C2C(=O)N(c3ccc(C)cc3)C(=O)C2C2c3ccccc3C=CN12.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

The InChIKey is VVNDTHVSNPMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O4/c1-16-7-10-19(11-8-16)33-28(35)23-24(29(33)36)26(27(34)31-21-15-18(30)9-12-22(21)37-2)32-14-13-17-5-3-4-6-20(17)25(23)32/h3-15,23-26H,1-2H3,(H,31,34).

What are the key properties of N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide?

N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide has a molecular weight of 513.98 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-14-(4-methylphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide is sourced from PubChem (CID 4041391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).