(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

C25H20F3NO2 — CID 6964986

IUPAC(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2C(=NC3=C(C(=O)c4ccccc43)[C@@H]2c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C25H20F3NO2/c1-24(2)11-17-20(18(30)12-24)19(15-9-5-6-10-16(15)25(26,27)28)21-22(29-17)13-7-3-4-8-14(13)23(21)31/h3-10,19-20H,11-12H2,1-2H3/t19-,20?/m1/s1
InChIKeyXWWXWFATCGCUMV-FIWHBWSRSA-N
MW423.43 g/mol
LogP5.86
Rot. Bonds1

About (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione

(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (PubChem CID 6964986) has the molecular formula C25H20F3NO2 and a molecular weight of 423.43 g/mol. Its IUPAC name is (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
PubChem CID6964986
Molecular FormulaC25H20F3NO2
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
SMILESCC1(C)CC(=O)C2C(=NC3=C(C(=O)c4ccccc43)[C@@H]2c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C25H20F3NO2/c1-24(2)11-17-20(18(30)12-24)19(15-9-5-6-10-16(15)25(26,27)28)21-22(29-17)13-7-3-4-8-14(13)23(21)31/h3-10,19-20H,11-12H2,1-2H3/t19-,20?/m1/s1
InChIKeyXWWXWFATCGCUMV-FIWHBWSRSA-N
XLogP5.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione with MolForge

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Related Compounds

(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 7064451
(10S)-10-(4-hydroxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6969516
2-[(10R)-7,7-dimethyl-9,11-dioxo-6,8,9a,10-tetrahydroindeno[1,2-b]quinolin-10-yl]-4-nitrophenolate
CID 6968010
(10S)-10-(3,4-dimethoxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6967373
3,7,7-trimethyl-4-[2-(trifluoromethyl)phenyl]-4,4a,6,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 123584087
(10S)-10-(3-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 7317437
(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 7313199
(9aR,10S)-10-(4-methylphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7335044
(10R)-10-(4-fluorophenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7360230
(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7317457
4-[4-fluoro-2-(trifluoromethyl)phenyl]-7,7-dimethyl-3-(trifluoromethyl)-4,4a,6,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 123876024
3,7,7-trimethyl-4-(2-methylphenyl)-4,4a,6,8-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 123607285

Frequently Asked Questions

What is the IUPAC name of (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione (CID 6964986) is (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is CC1(C)CC(=O)C2C(=NC3=C(C(=O)c4ccccc43)[C@@H]2c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
The InChIKey is XWWXWFATCGCUMV-FIWHBWSRSA-N. The full InChI is InChI=1S/C25H20F3NO2/c1-24(2)11-17-20(18(30)12-24)19(15-9-5-6-10-16(15)25(26,27)28)21-22(29-17)13-7-3-4-8-14(13)23(21)31/h3-10,19-20H,11-12H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione?
(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione has a molecular weight of 423.43 g/mol, XLogP of 5.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 6964986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).