(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione

C24H37NO3Si — CID 57244558

IUPAC(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
SMILESCC(C)(C)[Si](C)(C)OC1=C2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)NC2=C1
InChIInChI=1S/C24H37NO3Si/c1-22(2,3)29(6,7)28-17-14-18-23(4,13-11-20(27)25-18)16-10-12-24(5)15(21(16)17)8-9-19(24)26/h14-16H,8-13H2,1-7H3,(H,25,27)/t15-,16-,23+,24-/m0/s1
InChIKeyZRBOWDDAVJQKCX-YGQZWTKISA-N
MW415.65 g/mol
LogP5.47
Rot. Bonds2

About (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione

(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione (PubChem CID 57244558) has the molecular formula C24H37NO3Si and a molecular weight of 415.65 g/mol. Its IUPAC name is (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione.

Molecular Properties

Compound Name(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
PubChem CID57244558
Molecular FormulaC24H37NO3Si
Molecular Weight415.65 g/mol
Exact Mass415.25
IUPAC Name(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
SMILESCC(C)(C)[Si](C)(C)OC1=C2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)NC2=C1
InChIInChI=1S/C24H37NO3Si/c1-22(2,3)29(6,7)28-17-14-18-23(4,13-11-20(27)25-18)16-10-12-24(5)15(21(16)17)8-9-19(24)26/h14-16H,8-13H2,1-7H3,(H,25,27)/t15-,16-,23+,24-/m0/s1
InChIKeyZRBOWDDAVJQKCX-YGQZWTKISA-N
XLogP5.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione with MolForge

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Related Compounds

(3aS,9aR,9bR,11aS)-4-[butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione
CID 67671329
6-[tert-butyl(dimethyl)silyl]oxy-3,13-dimethyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-17-one
CID 59095647
3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-one
CID 91744374
(6aS)-6a-methyl-1,2,4,5,6,8,9,9a-octahydrocyclopenta[f]quinoline-3,7-dione
CID 10536868
(6R,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalen-1-one
CID 132820482
(4aR,5R,6S,8S)-8-bromo-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10905169
(9R,13S)-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-17-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-9-carbonitrile
CID 134917452
(8R,9S,13S,14S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CID 10250343
(4aR,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-4a,5-dimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 10902926
(3aR,7aR)-7a-methyl-4-methylidene-3,3a,6,7-tetrahydro-2H-indene-1,5-dione
CID 130992542
(6E,10S)-6-[tert-butyl(dimethyl)silyl]oxy-9,9-dimethyl-11-oxabicyclo[8.2.1]trideca-1(13),6-dien-12-one
CID 177386404
3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
CID 524932

Frequently Asked Questions

What is the IUPAC name of (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
The IUPAC name of (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione (CID 57244558) is (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione.
What is the SMILES notation for (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
The canonical SMILES for (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione is CC(C)(C)[Si](C)(C)OC1=C2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)CCC(=O)NC2=C1.
What is the InChIKey of (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
The InChIKey is ZRBOWDDAVJQKCX-YGQZWTKISA-N. The full InChI is InChI=1S/C24H37NO3Si/c1-22(2,3)29(6,7)28-17-14-18-23(4,13-11-20(27)25-18)16-10-12-24(5)15(21(16)17)8-9-19(24)26/h14-16H,8-13H2,1-7H3,(H,25,27)/t15-,16-,23+,24-/m0/s1.
What are the key properties of (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione?
(3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione has a molecular weight of 415.65 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,9aR,9bR,11aS)-4-[tert-butyl(dimethyl)silyl]oxy-9a,11a-dimethyl-3,3a,6,8,9,9b,10,11-octahydro-2H-indeno[5,4-f]quinoline-1,7-dione is sourced from PubChem (CID 57244558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).