6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione

C15H10N2O2 — CID 606442

IUPAC6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
SMILESCn1c(=O)cc2c3ccccc3n3c(=O)ccc1c23
InChIInChI=1S/C15H10N2O2/c1-16-12-6-7-13(18)17-11-5-3-2-4-9(11)10(15(12)17)8-14(16)19/h2-8H,1H3
InChIKeyOSQVNYBFJBIHGZ-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.74
Rot. Bonds

About 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione

6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione (PubChem CID 606442) has the molecular formula C15H10N2O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione.

Molecular Properties

Compound Name6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
PubChem CID606442
Molecular FormulaC15H10N2O2
Molecular Weight250.26 g/mol
Exact Mass250.07
IUPAC Name6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione
SMILESCn1c(=O)cc2c3ccccc3n3c(=O)ccc1c23
InChIInChI=1S/C15H10N2O2/c1-16-12-6-7-13(18)17-11-5-3-2-4-9(11)10(15(12)17)8-14(16)19/h2-8H,1H3
InChIKeyOSQVNYBFJBIHGZ-UHFFFAOYSA-N
XLogP1.74
TPSA43.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione?
The IUPAC name of 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione (CID 606442) is 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione.
What is the SMILES notation for 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione?
The canonical SMILES for 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione is Cn1c(=O)cc2c3ccccc3n3c(=O)ccc1c23.
What is the InChIKey of 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione?
The InChIKey is OSQVNYBFJBIHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2/c1-16-12-6-7-13(18)17-11-5-3-2-4-9(11)10(15(12)17)8-14(16)19/h2-8H,1H3.
What are the key properties of 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione?
6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione has a molecular weight of 250.26 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione is sourced from PubChem (CID 606442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).