(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione

C18H27NO2 — CID 151342664

IUPAC(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione
SMILESC[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3NC(=O)CC[C@]3(C)[C@H]1C(=O)C2
InChIInChI=1S/C18H27NO2/c1-17-8-3-4-12(17)11-5-6-14-18(2,9-7-15(21)19-14)16(11)13(20)10-17/h11-12,14,16H,3-10H2,1-2H3,(H,19,21)/t11-,12-,14+,16+,17-,18-/m0/s1
InChIKeyOKUOPILGYOGBOB-SBSHRIIESA-N
MW289.42 g/mol
LogP3.08
Rot. Bonds

About (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione

(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione (PubChem CID 151342664) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione.

Molecular Properties

Compound Name(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione
PubChem CID151342664
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione
SMILESC[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3NC(=O)CC[C@]3(C)[C@H]1C(=O)C2
InChIInChI=1S/C18H27NO2/c1-17-8-3-4-12(17)11-5-6-14-18(2,9-7-15(21)19-14)16(11)13(20)10-17/h11-12,14,16H,3-10H2,1-2H3,(H,19,21)/t11-,12-,14+,16+,17-,18-/m0/s1
InChIKeyOKUOPILGYOGBOB-SBSHRIIESA-N
XLogP3.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione with MolForge

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Related Compounds

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CID 543526
(3aS,3bS,9aR,9bR,11aS)-9a,11a-dimethyl-7,10-dioxo-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
CID 67858673
(3R,5R,8S,9S,10R,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one
CID 125035982
(5'S,8'R,9'R,10'S,13'R,14'R)-10',13'-dimethylspiro[1,3-dioxolane-2,3'-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene]-11'-one
CID 124910665
(3aS,3bR,5aR,9aR,9bS,11aS)-1-hydrazinylidene-9a,11a-dimethyl-3,3a,3b,4,5,5a,6,8,9,9b,10,11-dodecahydro-2H-indeno[5,4-f]quinolin-7-one
CID 70117900
(3aS,3bS,9aR,9bR,11aS)-1-(2-fluorophenyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
CID 70256223
(5S,8S,9S,10S,13S,14S,16S)-16-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
CID 99574175
(5S,8R,9R,10S,13S,14S,16S)-16-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,11-dione
CID 125028185
(8S,9S,10R,13S,14S)-1,1-dihydroxy-10,13-dimethyl-3,4,7,8,9,12,14,15,16,17-decahydro-2H-cyclopenta[a]phenanthren-11-one
CID 67107220
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-1-(1-aminoethyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
CID 22871984
1-(1-hydroxyethyl)-9a,11a-dimethyl-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-7-one
CID 21470059
2-[[(1S,3aS,3bR,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl]oxy]acetic acid
CID 86751697

Frequently Asked Questions

What is the IUPAC name of (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione?
The IUPAC name of (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione (CID 151342664) is (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione.
What is the SMILES notation for (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione?
The canonical SMILES for (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione is C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3NC(=O)CC[C@]3(C)[C@H]1C(=O)C2.
What is the InChIKey of (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione?
The InChIKey is OKUOPILGYOGBOB-SBSHRIIESA-N. The full InChI is InChI=1S/C18H27NO2/c1-17-8-3-4-12(17)11-5-6-14-18(2,9-7-15(21)19-14)16(11)13(20)10-17/h11-12,14,16H,3-10H2,1-2H3,(H,19,21)/t11-,12-,14+,16+,17-,18-/m0/s1.
What are the key properties of (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione?
(3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione has a molecular weight of 289.42 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,8,9,9b,11-dodecahydro-1H-indeno[5,4-f]quinoline-7,10-dione is sourced from PubChem (CID 151342664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).