7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone

C34H32N4O6 — CID 102002278

IUPAC7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone
SMILESO=C1OCCCN(Cc2ccccc2)C(=O)c2cccc(n2)C(=O)N(Cc2ccccc2)CCCOC(=O)c2cccc1n2
InChIInChI=1S/C34H32N4O6/c39-31-27-15-7-16-28(35-27)32(40)38(24-26-13-5-2-6-14-26)20-10-22-44-34(42)30-18-8-17-29(36-30)33(41)43-21-9-19-37(31)23-25-11-3-1-4-12-25/h1-8,11-18H,9-10,19-24H2
InChIKeySPBDZBGAJTYWQQ-UHFFFAOYSA-N
MW592.65 g/mol
LogP4.57
Rot. Bonds4

About 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone

7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone (PubChem CID 102002278) has the molecular formula C34H32N4O6 and a molecular weight of 592.65 g/mol. Its IUPAC name is 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone.

Molecular Properties

Compound Name7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone
PubChem CID102002278
Molecular FormulaC34H32N4O6
Molecular Weight592.65 g/mol
Exact Mass592.23
IUPAC Name7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone
SMILESO=C1OCCCN(Cc2ccccc2)C(=O)c2cccc(n2)C(=O)N(Cc2ccccc2)CCCOC(=O)c2cccc1n2
InChIInChI=1S/C34H32N4O6/c39-31-27-15-7-16-28(35-27)32(40)38(24-26-13-5-2-6-14-26)20-10-22-44-34(42)30-18-8-17-29(36-30)33(41)43-21-9-19-37(31)23-25-11-3-1-4-12-25/h1-8,11-18H,9-10,19-24H2
InChIKeySPBDZBGAJTYWQQ-UHFFFAOYSA-N
XLogP4.57
TPSA119.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.65
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone with MolForge

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Related Compounds

(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
[2-(Dimethylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate
CID 16279786
[2-[Benzyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2367377
[2-Oxo-2-(4-phenylpiperazin-1-yl)ethyl] quinoline-2-carboxylate
CID 2431180
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
CID 3903794
2-[(2-Quinolinylcarbonyl)amino]ethyl 4-fluorobenzoate
CID 4088302
2-(Methyl(phenyl)amino)-2-oxoethyl quinoline-2-carboxylate
CID 2352915
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2355344
(2-Morpholin-4-yl-2-oxoethyl) 2-phenylquinoline-4-carboxylate
CID 2645978
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] quinoline-2-carboxylate
CID 5098988
[4-(Pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 2394574
Isobutyl 2-phenylethyl 2,6-pyridinedicarboxylate
CID 91703257

Frequently Asked Questions

What is the IUPAC name of 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone?
The IUPAC name of 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone (CID 102002278) is 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone.
What is the SMILES notation for 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone?
The canonical SMILES for 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone is O=C1OCCCN(Cc2ccccc2)C(=O)c2cccc(n2)C(=O)N(Cc2ccccc2)CCCOC(=O)c2cccc1n2.
What is the InChIKey of 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone?
The InChIKey is SPBDZBGAJTYWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O6/c39-31-27-15-7-16-28(35-27)32(40)38(24-26-13-5-2-6-14-26)20-10-22-44-34(42)30-18-8-17-29(36-30)33(41)43-21-9-19-37(31)23-25-11-3-1-4-12-25/h1-8,11-18H,9-10,19-24H2.
What are the key properties of 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone?
7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone has a molecular weight of 592.65 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,15-dibenzyl-3,19-dioxa-7,15,25,26-tetrazatricyclo[19.3.1.19,13]hexacosa-1(25),9(26),10,12,21,23-hexaene-2,8,14,20-tetrone is sourced from PubChem (CID 102002278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).