20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione

C30H34N6O2 — CID 10279206

IUPAC20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
SMILESCCN1CCCCCn2cc(c3cccnc32)C2=C(C(=O)NC2=O)c2cn(c3ncccc23)CCCCC1
InChIInChI=1S/C30H34N6O2/c1-2-34-15-5-3-7-17-35-19-23(21-11-9-13-31-27(21)35)25-26(30(38)33-29(25)37)24-20-36(18-8-4-6-16-34)28-22(24)12-10-14-32-28/h9-14,19-20H,2-8,15-18H2,1H3,(H,33,37,38)
InChIKeyRXZYICZRKCZVFV-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.63
Rot. Bonds1

About 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione

20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione (PubChem CID 10279206) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione.

Molecular Properties

Compound Name20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
PubChem CID10279206
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione
SMILESCCN1CCCCCn2cc(c3cccnc32)C2=C(C(=O)NC2=O)c2cn(c3ncccc23)CCCCC1
InChIInChI=1S/C30H34N6O2/c1-2-34-15-5-3-7-17-35-19-23(21-11-9-13-31-27(21)35)25-26(30(38)33-29(25)37)24-20-36(18-8-4-6-16-34)28-22(24)12-10-14-32-28/h9-14,19-20H,2-8,15-18H2,1H3,(H,33,37,38)
InChIKeyRXZYICZRKCZVFV-UHFFFAOYSA-N
XLogP4.63
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
The IUPAC name of 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione (CID 10279206) is 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione.
What is the SMILES notation for 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
The canonical SMILES for 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione is CCN1CCCCCn2cc(c3cccnc32)C2=C(C(=O)NC2=O)c2cn(c3ncccc23)CCCCC1.
What is the InChIKey of 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
The InChIKey is RXZYICZRKCZVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-2-34-15-5-3-7-17-35-19-23(21-11-9-13-31-27(21)35)25-26(30(38)33-29(25)37)24-20-36(18-8-4-6-16-34)28-22(24)12-10-14-32-28/h9-14,19-20H,2-8,15-18H2,1H3,(H,33,37,38).
What are the key properties of 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione?
20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione has a molecular weight of 510.64 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 20-ethyl-4,12,14,20,26,28-hexazahexacyclo[24.6.1.17,14.02,6.08,13.027,32]tetratriaconta-1(33),2(6),7(34),8(13),9,11,27(32),28,30-nonaene-3,5-dione is sourced from PubChem (CID 10279206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).