2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one

C21H25N5O2 — CID 15048289

IUPAC2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one
SMILESO=c1c2c(n(Cc3ccccc3)c3nc(N4CCOCC4)nn13)CCCCC2
InChIInChI=1S/C21H25N5O2/c27-19-17-9-5-2-6-10-18(17)25(15-16-7-3-1-4-8-16)21-22-20(23-26(19)21)24-11-13-28-14-12-24/h1,3-4,7-8H,2,5-6,9-15H2
InChIKeyNOEXBBUMRAYNLD-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.04
Rot. Bonds3

About 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one

2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one (PubChem CID 15048289) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one.

Molecular Properties

Compound Name2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one
PubChem CID15048289
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one
SMILESO=c1c2c(n(Cc3ccccc3)c3nc(N4CCOCC4)nn13)CCCCC2
InChIInChI=1S/C21H25N5O2/c27-19-17-9-5-2-6-10-18(17)25(15-16-7-3-1-4-8-16)21-22-20(23-26(19)21)24-11-13-28-14-12-24/h1,3-4,7-8H,2,5-6,9-15H2
InChIKeyNOEXBBUMRAYNLD-UHFFFAOYSA-N
XLogP2.04
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one?
The IUPAC name of 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one (CID 15048289) is 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one.
What is the SMILES notation for 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one?
The canonical SMILES for 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one is O=c1c2c(n(Cc3ccccc3)c3nc(N4CCOCC4)nn13)CCCCC2.
What is the InChIKey of 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one?
The InChIKey is NOEXBBUMRAYNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-19-17-9-5-2-6-10-18(17)25(15-16-7-3-1-4-8-16)21-22-20(23-26(19)21)24-11-13-28-14-12-24/h1,3-4,7-8H,2,5-6,9-15H2.
What are the key properties of 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one?
2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one has a molecular weight of 379.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-morpholin-4-yl-2,4,6,7-tetrazatricyclo[7.5.0.03,7]tetradeca-1(9),3,5-trien-8-one is sourced from PubChem (CID 15048289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).