1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione

C16H14N2O2 — CID 170859544

IUPAC1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
SMILESCc1cccc2c1C(=O)Nc1cccc(C)c1C(=O)N2
InChIInChI=1S/C16H14N2O2/c1-9-5-3-7-11-13(9)15(19)18-12-8-4-6-10(2)14(12)16(20)17-11/h3-8H,1-2H3,(H,17,20)(H,18,19)
InChIKeyUQQYIMQLXSEAEA-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.12
Rot. Bonds

About 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione

1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione (PubChem CID 170859544) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione.

Molecular Properties

Compound Name1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
PubChem CID170859544
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione
SMILESCc1cccc2c1C(=O)Nc1cccc(C)c1C(=O)N2
InChIInChI=1S/C16H14N2O2/c1-9-5-3-7-11-13(9)15(19)18-12-8-4-6-10(2)14(12)16(20)17-11/h3-8H,1-2H3,(H,17,20)(H,18,19)
InChIKeyUQQYIMQLXSEAEA-UHFFFAOYSA-N
XLogP3.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione?
The IUPAC name of 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione (CID 170859544) is 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione.
What is the SMILES notation for 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione?
The canonical SMILES for 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione is Cc1cccc2c1C(=O)Nc1cccc(C)c1C(=O)N2.
What is the InChIKey of 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione?
The InChIKey is UQQYIMQLXSEAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9-5-3-7-11-13(9)15(19)18-12-8-4-6-10(2)14(12)16(20)17-11/h3-8H,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione?
1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione has a molecular weight of 266.30 g/mol, XLogP of 3.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-5,11-dihydrobenzo[c][1,5]benzodiazocine-6,12-dione is sourced from PubChem (CID 170859544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).