13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one

C12H11N3O3 — CID 67814096

IUPAC13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one
SMILESCOc1ccc2c(n1)-c1c(C)noc1CNC2=O
InChIInChI=1S/C12H11N3O3/c1-6-10-8(18-15-6)5-13-12(16)7-3-4-9(17-2)14-11(7)10/h3-4H,5H2,1-2H3,(H,13,16)
InChIKeyQLLOBCRMNJLFSU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.30
Rot. Bonds1

About 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one

13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one (PubChem CID 67814096) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one.

Molecular Properties

Compound Name13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one
PubChem CID67814096
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one
SMILESCOc1ccc2c(n1)-c1c(C)noc1CNC2=O
InChIInChI=1S/C12H11N3O3/c1-6-10-8(18-15-6)5-13-12(16)7-3-4-9(17-2)14-11(7)10/h3-4H,5H2,1-2H3,(H,13,16)
InChIKeyQLLOBCRMNJLFSU-UHFFFAOYSA-N
XLogP1.30
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one?
The IUPAC name of 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one (CID 67814096) is 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one.
What is the SMILES notation for 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one?
The canonical SMILES for 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one is COc1ccc2c(n1)-c1c(C)noc1CNC2=O.
What is the InChIKey of 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one?
The InChIKey is QLLOBCRMNJLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-6-10-8(18-15-6)5-13-12(16)7-3-4-9(17-2)14-11(7)10/h3-4H,5H2,1-2H3,(H,13,16).
What are the key properties of 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one?
13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one has a molecular weight of 245.24 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methoxy-3-methyl-5-oxa-4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),3,11,13-pentaen-9-one is sourced from PubChem (CID 67814096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).