11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

C18H24N4O3 — CID 45268313

IUPAC11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
SMILESCCCOc1cnc2c(c1)[nH]c1c(=O)n(CCC)c(=O)n(CCC)c12
InChIInChI=1S/C18H24N4O3/c1-4-7-21-16-14-13(10-12(11-19-14)25-9-6-3)20-15(16)17(23)22(8-5-2)18(21)24/h10-11,20H,4-9H2,1-3H3
InChIKeyFROWSYLVSFMXMF-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.65
Rot. Bonds7

About 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione

11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione (PubChem CID 45268313) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.

Molecular Properties

Compound Name11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
PubChem CID45268313
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
SMILESCCCOc1cnc2c(c1)[nH]c1c(=O)n(CCC)c(=O)n(CCC)c12
InChIInChI=1S/C18H24N4O3/c1-4-7-21-16-14-13(10-12(11-19-14)25-9-6-3)20-15(16)17(23)22(8-5-2)18(21)24/h10-11,20H,4-9H2,1-3H3
InChIKeyFROWSYLVSFMXMF-UHFFFAOYSA-N
XLogP2.65
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The IUPAC name of 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione (CID 45268313) is 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
What is the SMILES notation for 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The canonical SMILES for 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione is CCCOc1cnc2c(c1)[nH]c1c(=O)n(CCC)c(=O)n(CCC)c12.
What is the InChIKey of 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
The InChIKey is FROWSYLVSFMXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-4-7-21-16-14-13(10-12(11-19-14)25-9-6-3)20-15(16)17(23)22(8-5-2)18(21)24/h10-11,20H,4-9H2,1-3H3.
What are the key properties of 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione?
11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione has a molecular weight of 344.42 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-propoxy-3,5-dipropyl-3,5,8,13-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione is sourced from PubChem (CID 45268313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).