3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione

C28H31NO3 — CID 4135275

IUPAC3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1
InChIInChI=1S/C28H31NO3/c1-16-6-8-17(9-7-16)22-10-11-23(32-22)26-24-18(12-27(2,3)14-20(24)30)29-19-13-28(4,5)15-21(31)25(19)26/h6-11,26,29H,12-15H2,1-5H3
InChIKeyDXESXQRWYVRBGH-UHFFFAOYSA-N
MW429.56 g/mol
LogP6.23
Rot. Bonds2

About 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione

3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 4135275) has the molecular formula C28H31NO3 and a molecular weight of 429.56 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID4135275
Molecular FormulaC28H31NO3
Molecular Weight429.56 g/mol
Exact Mass429.23
IUPAC Name3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1
InChIInChI=1S/C28H31NO3/c1-16-6-8-17(9-7-16)22-10-11-23(32-22)26-24-18(12-27(2,3)14-20(24)30)29-19-13-28(4,5)15-21(31)25(19)26/h6-11,26,29H,12-15H2,1-5H3
InChIKeyDXESXQRWYVRBGH-UHFFFAOYSA-N
XLogP6.23
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.56
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-(2-chlorophenyl)furan-2-yl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 983377
3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
8,8-dimethyl-5-(5-phenylfuran-2-yl)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 18809335
3,3,6,6-tetramethyl-9-[5-(2-methyl-6-nitrophenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 51058207
(6R)-6-[5-(4-bromophenyl)furan-2-yl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 1219478
N,N-diethyl-4-[5-(3,7,7-trimethyl-5-oxo-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-4-yl)furan-2-yl]benzenesulfonamide
CID 3459330
(5R)-5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
CID 41092931
5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
CID 3672288
methyl 4-[5-(3-chlorophenyl)furan-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3693751
(4S)-2,7,7-trimethyl-4-(5-methylfuran-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
CID 124896085
3,7,7-trimethyl-4-(5-methylfuran-2-yl)-1-(4-methylphenyl)-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 4070438
8,8-dimethyl-5-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-2,4,6-trione
CID 2959463

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 4135275) is 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione is Cc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1.
What is the InChIKey of 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is DXESXQRWYVRBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31NO3/c1-16-6-8-17(9-7-16)22-10-11-23(32-22)26-24-18(12-27(2,3)14-20(24)30)29-19-13-28(4,5)15-21(31)25(19)26/h6-11,26,29H,12-15H2,1-5H3.
What are the key properties of 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 429.56 g/mol, XLogP of 6.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,6,6-tetramethyl-9-[5-(4-methylphenyl)furan-2-yl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 4135275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).