13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione

C24H34N4O4 — CID 143168394

IUPAC13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione
SMILESCN1CC(=O)NCC(=O)NCCCc2cccc3c2OC(CCC3)CNC(C2CC2)C1=O
InChIInChI=1S/C24H34N4O4/c1-28-15-21(30)26-14-20(29)25-12-4-8-18-6-2-5-17-7-3-9-19(32-23(17)18)13-27-22(24(28)31)16-10-11-16/h2,5-6,16,19,22,27H,3-4,7-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyRGIBNGXJYVDFSB-UHFFFAOYSA-N
MW442.56 g/mol
LogP0.78
Rot. Bonds1

About 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione

13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione (PubChem CID 143168394) has the molecular formula C24H34N4O4 and a molecular weight of 442.56 g/mol. Its IUPAC name is 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione.

Molecular Properties

Compound Name13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione
PubChem CID143168394
Molecular FormulaC24H34N4O4
Molecular Weight442.56 g/mol
Exact Mass442.26
IUPAC Name13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione
SMILESCN1CC(=O)NCC(=O)NCCCc2cccc3c2OC(CCC3)CNC(C2CC2)C1=O
InChIInChI=1S/C24H34N4O4/c1-28-15-21(30)26-14-20(29)25-12-4-8-18-6-2-5-17-7-3-9-19(32-23(17)18)13-27-22(24(28)31)16-10-11-16/h2,5-6,16,19,22,27H,3-4,7-15H2,1H3,(H,25,29)(H,26,30)
InChIKeyRGIBNGXJYVDFSB-UHFFFAOYSA-N
XLogP0.78
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione?
The IUPAC name of 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione (CID 143168394) is 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione.
What is the SMILES notation for 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione?
The canonical SMILES for 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione is CN1CC(=O)NCC(=O)NCCCc2cccc3c2OC(CCC3)CNC(C2CC2)C1=O.
What is the InChIKey of 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione?
The InChIKey is RGIBNGXJYVDFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O4/c1-28-15-21(30)26-14-20(29)25-12-4-8-18-6-2-5-17-7-3-9-19(32-23(17)18)13-27-22(24(28)31)16-10-11-16/h2,5-6,16,19,22,27H,3-4,7-15H2,1H3,(H,25,29)(H,26,30).
What are the key properties of 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione?
13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione has a molecular weight of 442.56 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclopropyl-11-methyl-25-oxa-5,8,11,14-tetrazatricyclo[14.7.2.020,24]pentacosa-1(23),20(24),21-triene-6,9,12-trione is sourced from PubChem (CID 143168394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).