6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione

C19H25NO3 — CID 129193798

IUPAC6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione
SMILESCN1C(=O)CCC2(C)C1=CCC1C3CCC(=O)C3(C)CC(=O)C12
InChIInChI=1S/C19H25NO3/c1-18-9-8-16(23)20(3)14(18)6-4-11-12-5-7-15(22)19(12,2)10-13(21)17(11)18/h6,11-12,17H,4-5,7-10H2,1-3H3
InChIKeyVVCDZYGSMZNKQY-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.72
Rot. Bonds

About 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione

6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione (PubChem CID 129193798) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione.

Molecular Properties

Compound Name6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione
PubChem CID129193798
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione
SMILESCN1C(=O)CCC2(C)C1=CCC1C3CCC(=O)C3(C)CC(=O)C12
InChIInChI=1S/C19H25NO3/c1-18-9-8-16(23)20(3)14(18)6-4-11-12-5-7-15(22)19(12,2)10-13(21)17(11)18/h6,11-12,17H,4-5,7-10H2,1-3H3
InChIKeyVVCDZYGSMZNKQY-UHFFFAOYSA-N
XLogP2.72
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione with MolForge

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Related Compounds

(3aS,3bR,9aR,9bS,11aS)-6,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydroindeno[5,4-f]quinoline-1,7-dione
CID 10063447
10,13-dimethyl-1,2,4,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
CID 18978440
(8S,9S,10R,13S,14S)-4,4-difluoro-10,13-dimethyl-2,7,8,9,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11,17-trione
CID 154174753
[(3S,8R,9R,10R,13R,14R)-10,13-dimethyl-11,17-dioxo-2,3,4,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 124915026
(8R,9S,10R,13S,14R)-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11,17-trione
CID 721865
(1S,9aS,11aS)-6,9a,11a-trimethyl-1-(2-methyloxiran-2-yl)-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinolin-7-one
CID 16627237
(3aS,3bS,9aR,9bS,11aS)-1-(2-aminopyrimidin-5-yl)-6,9a,11a-trimethyl-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 68793245
(3aS,3bS,9aR,9bS,11aS)-6,9a,11a-trimethyl-1-(4-methyl-3-pyridinyl)-3a,3b,4,8,9,9b,10,11-octahydro-3H-indeno[5,4-f]quinolin-7-one
CID 46205598
(3aS,3bS,9aR,9bR,11aS)-N-tert-butyl-6,9a,11a-trimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67669154
(3S,8R,9S,10R,13S,14S)-3-acetyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 40551375
(3R,8R,9S,10R,13S,14S)-3-chloro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 13252866
(3S,8S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 23968375

Frequently Asked Questions

What is the IUPAC name of 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione?
The IUPAC name of 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione (CID 129193798) is 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione.
What is the SMILES notation for 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione?
The canonical SMILES for 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione is CN1C(=O)CCC2(C)C1=CCC1C3CCC(=O)C3(C)CC(=O)C12.
What is the InChIKey of 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione?
The InChIKey is VVCDZYGSMZNKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-18-9-8-16(23)20(3)14(18)6-4-11-12-5-7-15(22)19(12,2)10-13(21)17(11)18/h6,11-12,17H,4-5,7-10H2,1-3H3.
What are the key properties of 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione?
6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione has a molecular weight of 315.41 g/mol, XLogP of 2.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9a,11a-trimethyl-3,3a,3b,4,8,9,9b,11-octahydro-2H-indeno[5,4-f]quinoline-1,7,10-trione is sourced from PubChem (CID 129193798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).