6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene

C15H16N2O2 — CID 18992440

IUPAC6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene
SMILESCOc1cc2c(cc1OC)N=C1C3C=CC(C3)N1C2
InChIInChI=1S/C15H16N2O2/c1-18-13-6-10-8-17-11-4-3-9(5-11)15(17)16-12(10)7-14(13)19-2/h3-4,6-7,9,11H,5,8H2,1-2H3
InChIKeyGSELITRLXGWPRN-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.51
Rot. Bonds2

About 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene

6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene (PubChem CID 18992440) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene.

Molecular Properties

Compound Name6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene
PubChem CID18992440
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene
SMILESCOc1cc2c(cc1OC)N=C1C3C=CC(C3)N1C2
InChIInChI=1S/C15H16N2O2/c1-18-13-6-10-8-17-11-4-3-9(5-11)15(17)16-12(10)7-14(13)19-2/h3-4,6-7,9,11H,5,8H2,1-2H3
InChIKeyGSELITRLXGWPRN-UHFFFAOYSA-N
XLogP2.51
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene?
The IUPAC name of 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene (CID 18992440) is 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene.
What is the SMILES notation for 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene?
The canonical SMILES for 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene is COc1cc2c(cc1OC)N=C1C3C=CC(C3)N1C2.
What is the InChIKey of 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene?
The InChIKey is GSELITRLXGWPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-18-13-6-10-8-17-11-4-3-9(5-11)15(17)16-12(10)7-14(13)19-2/h3-4,6-7,9,11H,5,8H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene?
6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene has a molecular weight of 256.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8,10,13-pentaene is sourced from PubChem (CID 18992440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).