6a-methylisoquinolino[2,3-a]quinoline-7,12-dione

C18H13NO2 — CID 154722874

IUPAC6a-methylisoquinolino[2,3-a]quinoline-7,12-dione
SMILESCC12C=Cc3ccccc3N1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H13NO2/c1-18-11-10-12-6-2-5-9-15(12)19(18)17(21)14-8-4-3-7-13(14)16(18)20/h2-11H,1H3
InChIKeyMUMIXHQUHORAFF-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.32
Rot. Bonds

About 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione

6a-methylisoquinolino[2,3-a]quinoline-7,12-dione (PubChem CID 154722874) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione.

Molecular Properties

Compound Name6a-methylisoquinolino[2,3-a]quinoline-7,12-dione
PubChem CID154722874
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name6a-methylisoquinolino[2,3-a]quinoline-7,12-dione
SMILESCC12C=Cc3ccccc3N1C(=O)c1ccccc1C2=O
InChIInChI=1S/C18H13NO2/c1-18-11-10-12-6-2-5-9-15(12)19(18)17(21)14-8-4-3-7-13(14)16(18)20/h2-11H,1H3
InChIKeyMUMIXHQUHORAFF-UHFFFAOYSA-N
XLogP3.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethylquinoline-1-carboxamide
CID 140982982
2-[3-(1,3-dioxoisoindol-2-yl)-1,3,5,5-tetramethylcyclohexyl]isoindole-1,3-dione
CID 70464685
2-(3-methylazetidin-3-yl)isoindole-1,3-dione
CID 131014758
methyl 1-(1,3-dioxoisoindol-2-yl)-2,2-dimethylcyclopropane-1-carboxylate
CID 15168083
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
CID 146166147
methyl 2-hydroxy-1-oxonaphthalene-2-carboxylate
CID 16754218
1-methyl-6,13-diazapentacyclo[11.7.0.02,6.07,12.015,20]icosa-2,4,7,9,11,15,17,19-octaen-14-one
CID 56925856
1,1,2,2-tetramethyl-2'-phenylspiro[cyclopropane-3,3'-isoindole]-1'-one
CID 144897023
2-[(3R,4R)-3,4-dichloro-5,5-dimethyl-2-oxooxolan-3-yl]isoindole-1,3-dione
CID 11131257
6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
CID 57387965
11-hydroxy-5,11-dimethylbenzo[c][1]benzazepin-6-one
CID 14203513
1-[4-[(E)-2-[7-(2,2-dimethylquinolin-1-yl)-9-methyl-9H-fluoren-2-yl]ethenyl]phenyl]-2,2-dimethylquinoline
CID 143984099

Frequently Asked Questions

What is the IUPAC name of 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione?
The IUPAC name of 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione (CID 154722874) is 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione.
What is the SMILES notation for 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione?
The canonical SMILES for 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione is CC12C=Cc3ccccc3N1C(=O)c1ccccc1C2=O.
What is the InChIKey of 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione?
The InChIKey is MUMIXHQUHORAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c1-18-11-10-12-6-2-5-9-15(12)19(18)17(21)14-8-4-3-7-13(14)16(18)20/h2-11H,1H3.
What are the key properties of 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione?
6a-methylisoquinolino[2,3-a]quinoline-7,12-dione has a molecular weight of 275.31 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-methylisoquinolino[2,3-a]quinoline-7,12-dione is sourced from PubChem (CID 154722874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).