6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone

C22H34N6O4 — CID 46840837

IUPAC6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone
SMILESCN1CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCC1
InChIInChI=1S/C22H34N6O4/c1-27-11-3-7-23-15-17(21(31)19(15)29)25-9-5-13-28(2)14-6-10-26-18-16(20(30)22(18)32)24-8-4-12-27/h23-26H,3-14H2,1-2H3
InChIKeyCONBRGJIPPGVTI-UHFFFAOYSA-N
MW446.55 g/mol
LogP-0.34
Rot. Bonds

About 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone

6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone (PubChem CID 46840837) has the molecular formula C22H34N6O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone.

Molecular Properties

Compound Name6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone
PubChem CID46840837
Molecular FormulaC22H34N6O4
Molecular Weight446.55 g/mol
Exact Mass446.26
IUPAC Name6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone
SMILESCN1CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCC1
InChIInChI=1S/C22H34N6O4/c1-27-11-3-7-23-15-17(21(31)19(15)29)25-9-5-13-28(2)14-6-10-26-18-16(20(30)22(18)32)24-8-4-12-27/h23-26H,3-14H2,1-2H3
InChIKeyCONBRGJIPPGVTI-UHFFFAOYSA-N
XLogP-0.34
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone?
The IUPAC name of 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone (CID 46840837) is 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone.
What is the SMILES notation for 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone?
The canonical SMILES for 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone is CN1CCCNc2c(c(=O)c2=O)NCCCN(C)CCCNc2c(c(=O)c2=O)NCCC1.
What is the InChIKey of 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone?
The InChIKey is CONBRGJIPPGVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O4/c1-27-11-3-7-23-15-17(21(31)19(15)29)25-9-5-13-28(2)14-6-10-26-18-16(20(30)22(18)32)24-8-4-12-27/h23-26H,3-14H2,1-2H3.
What are the key properties of 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone?
6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone has a molecular weight of 446.55 g/mol, XLogP of -0.34, 0 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,19-dimethyl-2,6,10,15,19,23-hexazatricyclo[22.2.0.011,14]hexacosa-1(24),11(14)-diene-12,13,25,26-tetrone is sourced from PubChem (CID 46840837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).