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

C25H31NO4 — CID 7313199

IUPAC(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3CC(C)(C)CC(=O)C32)c1OC
InChIInChI=1S/C25H31NO4/c1-24(2)10-15-21(17(27)12-24)20(14-8-7-9-19(29-5)23(14)30-6)22-16(26-15)11-25(3,4)13-18(22)28/h7-9,20-21H,10-13H2,1-6H3/t20-,21?/m0/s1
InChIKeySFIAUUWSBHHXOG-BGERDNNASA-N
MW409.53 g/mol
LogP4.89
Rot. Bonds3

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

(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (PubChem CID 7313199) has the molecular formula C25H31NO4 and a molecular weight of 409.53 g/mol. Its IUPAC name is (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
PubChem CID7313199
Molecular FormulaC25H31NO4
Molecular Weight409.53 g/mol
Exact Mass409.23
IUPAC Name(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
SMILESCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3CC(C)(C)CC(=O)C32)c1OC
InChIInChI=1S/C25H31NO4/c1-24(2)10-15-21(17(27)12-24)20(14-8-7-9-19(29-5)23(14)30-6)22-16(26-15)11-25(3,4)13-18(22)28/h7-9,20-21H,10-13H2,1-6H3/t20-,21?/m0/s1
InChIKeySFIAUUWSBHHXOG-BGERDNNASA-N
XLogP4.89
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl (4R)-4-(2,3-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6961386
(9R)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 7014014
2,7,7-trimethyl-5-oxo-4-(2,3,4-trimethoxyphenyl)-4,4a,6,8-tetrahydroquinoline-3-carboxylic acid
CID 91248248
2-[5-bromo-2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7,8a,9-hexahydroacridin-9-yl)phenoxy]acetate
CID 74712820
4-(2,3-dimethoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinoline-2,5-dione
CID 2997035
9-(3-imidazol-1-ylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione
CID 54431458
(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
(9R)-9-(2,3-dimethoxyphenyl)-6,6-dimethyl-4,5,7,9-tetrahydrotetrazolo[5,1-b]quinazolin-8-one
CID 136773562
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)-10-(3,4-dimethoxyphenyl)-7,7-dimethyl-6,8,9a,10-tetrahydroindeno[1,2-b]quinoline-9,11-dione
CID 6967373
(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
cyclohexyl (4R)-4-(2-methoxyphenyl)-2,7,7-trimethyl-5-oxo-3,4,6,8-tetrahydroquinoline-3-carboxylate
CID 6961432

Frequently Asked Questions

What is the IUPAC name of (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The IUPAC name of (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione (CID 7313199) is (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione.
What is the SMILES notation for (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The canonical SMILES for (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)N=C3CC(C)(C)CC(=O)C32)c1OC.
What is the InChIKey of (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
The InChIKey is SFIAUUWSBHHXOG-BGERDNNASA-N. The full InChI is InChI=1S/C25H31NO4/c1-24(2)10-15-21(17(27)12-24)20(14-8-7-9-19(29-5)23(14)30-6)22-16(26-15)11-25(3,4)13-18(22)28/h7-9,20-21H,10-13H2,1-6H3/t20-,21?/m0/s1.
What are the key properties of (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione?
(9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione has a molecular weight of 409.53 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-(2,3-dimethoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroacridine-1,8-dione is sourced from PubChem (CID 7313199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).