(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

C28H21NO2 — CID 7317457

IUPAC(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1C2=C(N=C3C[C@H](c4ccccc4)CC(=O)C3[C@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21NO2/c30-23-16-19(17-9-3-1-4-10-17)15-22-25(23)24(18-11-5-2-6-12-18)26-27(29-22)20-13-7-8-14-21(20)28(26)31/h1-14,19,24-25H,15-16H2/t19-,24+,25?/m0/s1
InChIKeyOVBHUHGQDMQIOF-ZPVXWVENSA-N
MW403.48 g/mol
LogP5.60
Rot. Bonds2

About (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione

(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 7317457) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID7317457
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESO=C1C2=C(N=C3C[C@H](c4ccccc4)CC(=O)C3[C@H]2c2ccccc2)c2ccccc21
InChIInChI=1S/C28H21NO2/c30-23-16-19(17-9-3-1-4-10-17)15-22-25(23)24(18-11-5-2-6-12-18)26-27(29-22)20-13-7-8-14-21(20)28(26)31/h1-14,19,24-25H,15-16H2/t19-,24+,25?/m0/s1
InChIKeyOVBHUHGQDMQIOF-ZPVXWVENSA-N
XLogP5.60
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Related Compounds

(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
(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
(10R)-10-(3-fluorophenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 7188711
(9aR,10S)-10-(3,4-dimethoxyphenyl)-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 7112685
(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
CID 7700112
(10S)-10-(3,4-dimethoxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6967373
(10S)-7,7-dimethyl-10-[2-(trifluoromethyl)phenyl]-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6964986
ethyl (4S)-2-methyl-5-oxo-4-phenyl-3,4-dihydroindeno[1,2-b]pyridine-3-carboxylate
CID 6925639
(4S,4aS,7S)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-7-phenyl-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile
CID 6962145
(10S)-10-(3-ethoxy-4-hydroxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 7317437

Frequently Asked Questions

What is the IUPAC name of (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 7317457) is (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is O=C1C2=C(N=C3C[C@H](c4ccccc4)CC(=O)C3[C@H]2c2ccccc2)c2ccccc21.
What is the InChIKey of (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is OVBHUHGQDMQIOF-ZPVXWVENSA-N. The full InChI is InChI=1S/C28H21NO2/c30-23-16-19(17-9-3-1-4-10-17)15-22-25(23)24(18-11-5-2-6-12-18)26-27(29-22)20-13-7-8-14-21(20)28(26)31/h1-14,19,24-25H,15-16H2/t19-,24+,25?/m0/s1.
What are the key properties of (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione?
(7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 403.48 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,10S)-7,10-diphenyl-7,8,9a,10-tetrahydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 7317457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).