4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione

C26H24N4O4 — CID 10874150

IUPAC4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione
SMILESCN1C(=O)C2=C(C1=O)c1cn(c3ncccc13)CCOCCOCCn1cc2c2ccccc21
InChIInChI=1S/C26H24N4O4/c1-28-25(31)22-19-15-29(21-7-3-2-5-17(19)21)9-11-33-13-14-34-12-10-30-16-20(23(22)26(28)32)18-6-4-8-27-24(18)30/h2-8,15-16H,9-14H2,1H3
InChIKeyQEIGKHVPYODGDV-UHFFFAOYSA-N
MW456.50 g/mol
LogP2.95
Rot. Bonds

About 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione

4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione (PubChem CID 10874150) has the molecular formula C26H24N4O4 and a molecular weight of 456.50 g/mol. Its IUPAC name is 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione.

Molecular Properties

Compound Name4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione
PubChem CID10874150
Molecular FormulaC26H24N4O4
Molecular Weight456.50 g/mol
Exact Mass456.18
IUPAC Name4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione
SMILESCN1C(=O)C2=C(C1=O)c1cn(c3ncccc13)CCOCCOCCn1cc2c2ccccc21
InChIInChI=1S/C26H24N4O4/c1-28-25(31)22-19-15-29(21-7-3-2-5-17(19)21)9-11-33-13-14-34-12-10-30-16-20(23(22)26(28)32)18-6-4-8-27-24(18)30/h2-8,15-16H,9-14H2,1H3
InChIKeyQEIGKHVPYODGDV-UHFFFAOYSA-N
XLogP2.95
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione?
The IUPAC name of 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione (CID 10874150) is 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione.
What is the SMILES notation for 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione?
The canonical SMILES for 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione is CN1C(=O)C2=C(C1=O)c1cn(c3ncccc13)CCOCCOCCn1cc2c2ccccc21.
What is the InChIKey of 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione?
The InChIKey is QEIGKHVPYODGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O4/c1-28-25(31)22-19-15-29(21-7-3-2-5-17(19)21)9-11-33-13-14-34-12-10-30-16-20(23(22)26(28)32)18-6-4-8-27-24(18)30/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione?
4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione has a molecular weight of 456.50 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-17,20-dioxa-4,12,14,23-tetrazahexacyclo[21.6.1.17,14.02,6.08,13.024,29]hentriaconta-1(30),2(6),7(31),8(13),9,11,24,26,28-nonaene-3,5-dione is sourced from PubChem (CID 10874150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).