1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione

C15H16N2O2 — CID 21355157

IUPAC1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione
SMILESO=C1C2Cc3ccccc3CN2C(=O)C2CCCN12
InChIInChI=1S/C15H16N2O2/c18-14-12-6-3-7-16(12)15(19)13-8-10-4-1-2-5-11(10)9-17(13)14/h1-2,4-5,12-13H,3,6-9H2
InChIKeyVYQQGNXYGLHQQT-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.94
Rot. Bonds

About 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione

1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione (PubChem CID 21355157) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione.

Molecular Properties

Compound Name1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione
PubChem CID21355157
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione
SMILESO=C1C2Cc3ccccc3CN2C(=O)C2CCCN12
InChIInChI=1S/C15H16N2O2/c18-14-12-6-3-7-16(12)15(19)13-8-10-4-1-2-5-11(10)9-17(13)14/h1-2,4-5,12-13H,3,6-9H2
InChIKeyVYQQGNXYGLHQQT-UHFFFAOYSA-N
XLogP0.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione with MolForge

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Related Compounds

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CID 22500646
(3R,10S)-1,8-diazatricyclo[8.4.0.03,8]tetradecane-2,9-dione
CID 97436024
2-phenyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79944954
(11aS)-2-(2-piperidin-1-ylethyl)-3,6,11,11a-tetrahydropyrazino[1,2-b]isoquinoline-1,4-dione
CID 102184667
2-(2,3-dihydro-1-benzofuran-3-yl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79925169
6-(1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)hexanoic acid
CID 4869128
6-[(10aS)-1,3-dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl]hexanoic acid
CID 7096678
(3S,9R)-11-benzoyl-1,7,11-triazatricyclo[7.4.0.03,7]tridecane-2,8-dione
CID 56856747
2-(4,4-difluorocyclohexyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione
CID 166228637
(3R,11aS)-3-benzyl-3,6,11,11a-tetrahydro-2H-pyrazino[1,2-b]isoquinoline-1,4-dione
CID 11781738
(3S,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 131896652
10,10a-dihydro-5H-[1,3]oxazolo[3,4-b]isoquinoline-1,3-dione
CID 2733656

Frequently Asked Questions

What is the IUPAC name of 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione?
The IUPAC name of 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione (CID 21355157) is 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione.
What is the SMILES notation for 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione?
The canonical SMILES for 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione is O=C1C2Cc3ccccc3CN2C(=O)C2CCCN12.
What is the InChIKey of 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione?
The InChIKey is VYQQGNXYGLHQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-12-6-3-7-16(12)15(19)13-8-10-4-1-2-5-11(10)9-17(13)14/h1-2,4-5,12-13H,3,6-9H2.
What are the key properties of 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione?
1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione has a molecular weight of 256.30 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-diazatetracyclo[8.7.0.03,8.012,16]heptadeca-3,5,7-triene-11,17-dione is sourced from PubChem (CID 21355157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).