5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione

C16H14N2O2 — CID 5083756

IUPAC5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione
SMILESCNc1cccc2c1c(=O)c1ccccc1c(=O)n2C
InChIInChI=1S/C16H14N2O2/c1-17-12-8-5-9-13-14(12)15(19)10-6-3-4-7-11(10)16(20)18(13)2/h3-9,17H,1-2H3
InChIKeyOMCXSEVEQSFTFG-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.09
Rot. Bonds1

About 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione

5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione (PubChem CID 5083756) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione.

Molecular Properties

Compound Name5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione
PubChem CID5083756
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione
SMILESCNc1cccc2c1c(=O)c1ccccc1c(=O)n2C
InChIInChI=1S/C16H14N2O2/c1-17-12-8-5-9-13-14(12)15(19)10-6-3-4-7-11(10)16(20)18(13)2/h3-9,17H,1-2H3
InChIKeyOMCXSEVEQSFTFG-UHFFFAOYSA-N
XLogP2.09
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione?
The IUPAC name of 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione (CID 5083756) is 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione.
What is the SMILES notation for 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione?
The canonical SMILES for 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione is CNc1cccc2c1c(=O)c1ccccc1c(=O)n2C.
What is the InChIKey of 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione?
The InChIKey is OMCXSEVEQSFTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-17-12-8-5-9-13-14(12)15(19)10-6-3-4-7-11(10)16(20)18(13)2/h3-9,17H,1-2H3.
What are the key properties of 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione?
5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione has a molecular weight of 266.30 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(methylamino)benzo[c][1]benzazepine-6,11-dione is sourced from PubChem (CID 5083756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).