ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione

C17H22N2O2 — CID 144577348

IUPACethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione
SMILESCC.CC1=C2CCN3C(=O)CNC(=O)C=C3C(=CC=C1)C2
InChIInChI=1S/C15H16N2O2.C2H6/c1-10-3-2-4-12-7-11(10)5-6-17-13(12)8-14(18)16-9-15(17)19;1-2/h2-4,8H,5-7,9H2,1H3,(H,16,18);1-2H3
InChIKeyVOPCTGWPZVEXHX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.46
Rot. Bonds

About ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione

ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione (PubChem CID 144577348) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione.

Molecular Properties

Compound Nameethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione
PubChem CID144577348
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Nameethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione
SMILESCC.CC1=C2CCN3C(=O)CNC(=O)C=C3C(=CC=C1)C2
InChIInChI=1S/C15H16N2O2.C2H6/c1-10-3-2-4-12-7-11(10)5-6-17-13(12)8-14(18)16-9-15(17)19;1-2/h2-4,8H,5-7,9H2,1H3,(H,16,18);1-2H3
InChIKeyVOPCTGWPZVEXHX-UHFFFAOYSA-N
XLogP2.46
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione?
The IUPAC name of ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione (CID 144577348) is ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione.
What is the SMILES notation for ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione?
The canonical SMILES for ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione is CC.CC1=C2CCN3C(=O)CNC(=O)C=C3C(=CC=C1)C2.
What is the InChIKey of ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione?
The InChIKey is VOPCTGWPZVEXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C2H6/c1-10-3-2-4-12-7-11(10)5-6-17-13(12)8-14(18)16-9-15(17)19;1-2/h2-4,8H,5-7,9H2,1H3,(H,16,18);1-2H3.
What are the key properties of ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione?
ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione has a molecular weight of 286.38 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;12-methyl-5,8-diazatricyclo[9.4.1.02,8]hexadeca-1(15),2,11,13-tetraene-4,7-dione is sourced from PubChem (CID 144577348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).