(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

C24H29NO2 — CID 7014014

IUPAC(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3CC(C)(C)CC(=O)C32)cc1
InChIInChI=1S/C24H29NO2/c1-14-6-8-15(9-7-14)20-21-16(10-23(2,3)12-18(21)26)25-17-11-24(4,5)13-19(27)22(17)20/h6-9,20-21H,10-13H2,1-5H3/t20-,21?/m0/s1
InChIKeyQLYXJISRJKKPDE-BGERDNNASA-N
MW363.50 g/mol
LogP5.18
Rot. Bonds1

About (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione

(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (PubChem CID 7014014) has the molecular formula C24H29NO2 and a molecular weight of 363.50 g/mol. Its IUPAC name is (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
PubChem CID7014014
Molecular FormulaC24H29NO2
Molecular Weight363.50 g/mol
Exact Mass363.22
IUPAC Name(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3CC(C)(C)CC(=O)C32)cc1
InChIInChI=1S/C24H29NO2/c1-14-6-8-15(9-7-14)20-21-16(10-23(2,3)12-18(21)26)25-17-11-24(4,5)13-19(27)22(17)20/h6-9,20-21H,10-13H2,1-5H3/t20-,21?/m0/s1
InChIKeyQLYXJISRJKKPDE-BGERDNNASA-N
XLogP5.18
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione with MolForge

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Related Compounds

2-nitro-4-[(9R)-3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,8a,9-hexahydroacridin-9-yl]phenolate
CID 7401068
(10S)-7,7-dimethyl-10-(4-methylphenyl)-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 7064451
(8aR,9S)-9-(3,5-dichloro-4-hydroxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 11860928
9-(3-imidazol-1-ylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 54431458
(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 7313199
propan-2-yl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 6961422
6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydro-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 123270087
6,6-dimethyl-9-(4-methylphenyl)-5,7,8a,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
CID 123342987
(10S)-10-(4-hydroxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6969516
(4R)-2,7,7-trimethyl-4-(4-methylphenyl)-N-(4-methyl-2-pyridinyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxamide
CID 7309156
(9S)-9-[3-chloro-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 9497778
2-phenoxyethyl (4S)-2,7,7-trimethyl-4-(4-methylphenyl)-5-oxo-4,4a,6,8-tetrahydroquinoline-3-carboxylate
CID 7089776

Frequently Asked Questions

What is the IUPAC name of (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The IUPAC name of (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (CID 7014014) is (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.
What is the SMILES notation for (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The canonical SMILES for (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3CC(C)(C)CC(=O)C32)cc1.
What is the InChIKey of (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The InChIKey is QLYXJISRJKKPDE-BGERDNNASA-N. The full InChI is InChI=1S/C24H29NO2/c1-14-6-8-15(9-7-14)20-21-16(10-23(2,3)12-18(21)26)25-17-11-24(4,5)13-19(27)22(17)20/h6-9,20-21H,10-13H2,1-5H3/t20-,21?/m0/s1.
What are the key properties of (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione has a molecular weight of 363.50 g/mol, XLogP of 5.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is sourced from PubChem (CID 7014014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).