(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione

C27H26FNO2 — CID 1286614

IUPAC(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCCCN1C2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(F)cc2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C27H26FNO2/c1-4-13-29-20-14-27(2,3)15-21(30)23(20)22(16-9-11-17(28)12-10-16)24-25(29)18-7-5-6-8-19(18)26(24)31/h5-12,22H,4,13-15H2,1-3H3/t22-/m0/s1
InChIKeyFMEVHXOEAIVOOJ-QFIPXVFZSA-N
MW415.51 g/mol
LogP5.89
Rot. Bonds3

About (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione

(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione (PubChem CID 1286614) has the molecular formula C27H26FNO2 and a molecular weight of 415.51 g/mol. Its IUPAC name is (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione.

Molecular Properties

Compound Name(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
PubChem CID1286614
Molecular FormulaC27H26FNO2
Molecular Weight415.51 g/mol
Exact Mass415.19
IUPAC Name(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
SMILESCCCN1C2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(F)cc2)C2=C1c1ccccc1C2=O
InChIInChI=1S/C27H26FNO2/c1-4-13-29-20-14-27(2,3)15-21(30)23(20)22(16-9-11-17(28)12-10-16)24-25(29)18-7-5-6-8-19(18)26(24)31/h5-12,22H,4,13-15H2,1-3H3/t22-/m0/s1
InChIKeyFMEVHXOEAIVOOJ-QFIPXVFZSA-N
XLogP5.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione with MolForge

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Related Compounds

9-(4-hydroxyphenyl)-3,3,6,6-tetramethyl-10-propyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1072592
10-cyclopropyl-9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 11668641
10-(4-chlorophenyl)-5-(4-iodophenyl)-7,7-dimethyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione
CID 24774092
3,3,6,6-tetramethyl-9-(4-methylphenyl)-10-pentyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 22333792
N-phenyl-2-[4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126277003
[4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenyl] 4-chlorobenzenesulfonate
CID 126079586
[2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenyl] benzenesulfonate
CID 126072484
10-(2-hydroxyethyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 5101871
(10R)-7,7-dimethyl-10-phenyl-5,6,8,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 1211712
9-(3-fluorophenyl)-3,3,6,6-tetramethyl-10-(2-morpholin-4-ylethyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 3245535
(4S)-4-(4-fluorophenyl)-1,7,7-trimethyl-3,4,6,8-tetrahydroquinazoline-2,5-dione
CID 40552646
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
CID 632712

Frequently Asked Questions

What is the IUPAC name of (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The IUPAC name of (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione (CID 1286614) is (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione.
What is the SMILES notation for (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The canonical SMILES for (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione is CCCN1C2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(F)cc2)C2=C1c1ccccc1C2=O.
What is the InChIKey of (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
The InChIKey is FMEVHXOEAIVOOJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C27H26FNO2/c1-4-13-29-20-14-27(2,3)15-21(30)23(20)22(16-9-11-17(28)12-10-16)24-25(29)18-7-5-6-8-19(18)26(24)31/h5-12,22H,4,13-15H2,1-3H3/t22-/m0/s1.
What are the key properties of (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione?
(10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione has a molecular weight of 415.51 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-(4-fluorophenyl)-7,7-dimethyl-5-propyl-8,10-dihydro-6H-indeno[1,2-b]quinoline-9,11-dione is sourced from PubChem (CID 1286614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).