3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one

C15H11N3O2 — CID 141114307

IUPAC3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one
SMILESCOc1cccc2ccn3cc4c(=O)[nH]ncc4c3c12
InChIInChI=1S/C15H11N3O2/c1-20-12-4-2-3-9-5-6-18-8-11-10(14(18)13(9)12)7-16-17-15(11)19/h2-8H,1H3,(H,17,19)
InChIKeyXSEZFVSOEWWMAA-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.34
Rot. Bonds1

About 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one

3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one (PubChem CID 141114307) has the molecular formula C15H11N3O2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one.

Molecular Properties

Compound Name3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one
PubChem CID141114307
Molecular FormulaC15H11N3O2
Molecular Weight265.27 g/mol
Exact Mass265.09
IUPAC Name3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one
SMILESCOc1cccc2ccn3cc4c(=O)[nH]ncc4c3c12
InChIInChI=1S/C15H11N3O2/c1-20-12-4-2-3-9-5-6-18-8-11-10(14(18)13(9)12)7-16-17-15(11)19/h2-8H,1H3,(H,17,19)
InChIKeyXSEZFVSOEWWMAA-UHFFFAOYSA-N
XLogP2.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one?
The IUPAC name of 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one (CID 141114307) is 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one.
What is the SMILES notation for 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one?
The canonical SMILES for 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one is COc1cccc2ccn3cc4c(=O)[nH]ncc4c3c12.
What is the InChIKey of 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one?
The InChIKey is XSEZFVSOEWWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O2/c1-20-12-4-2-3-9-5-6-18-8-11-10(14(18)13(9)12)7-16-17-15(11)19/h2-8H,1H3,(H,17,19).
What are the key properties of 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one?
3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one has a molecular weight of 265.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10,14,15-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(17),2(7),3,5,8,11,15-heptaen-13-one is sourced from PubChem (CID 141114307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).