9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

C24H27NO4 — CID 982995

IUPAC9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2
InChIInChI=1S/C24H27NO4/c1-23(2)8-14-21(16(26)10-23)20(13-5-6-18-19(7-13)29-12-28-18)22-15(25-14)9-24(3,4)11-17(22)27/h5-7,20,25H,8-12H2,1-4H3
InChIKeyYUDCYZDTZSCVSS-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.39
Rot. Bonds1

About 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione

9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 982995) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID982995
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2
InChIInChI=1S/C24H27NO4/c1-23(2)8-14-21(16(26)10-23)20(13-5-6-18-19(7-13)29-12-28-18)22-15(25-14)9-24(3,4)11-17(22)27/h5-7,20,25H,8-12H2,1-4H3
InChIKeyYUDCYZDTZSCVSS-UHFFFAOYSA-N
XLogP4.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

SJ000025081
CID 3132463
3,5-Pyridinedicarboxylic acid, 4-(1,3-benzodioxol-5-yl)-1,4-dihydro-2,6-dimethyl-, diethyl ester
CID 982601
Dimethyl 4-(1,3-benzodioxol-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 704243
3-(1,3-Benzodioxol-5-ylmethylamino)-5-(4-methoxyphenyl)cyclohex-2-en-1-one
CID 2940243
4-(6-Bromo-benzo[1,3]dioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid 2-isopropoxy-ethyl ester
CID 644470
9-[4-(benzyloxy)-3-ethoxyphenyl]-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione
CID 1022997
2-Methoxyethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 2855830
9-(4-hydroxy-3-methoxyphenyl)-3,3,6,6,10-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
CID 1533841
methyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3139511
Methylethyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carboxylate
CID 3139535
Methylpropyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,6, 7,8-pentahydroquinoline-3-carboxylate
CID 3141205
Propyl 7-(3,4-dimethoxyphenyl)-4-(3-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
CID 3141210

Frequently Asked Questions

What is the IUPAC name of 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 982995) is 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc2c(c1)OCO2.
What is the InChIKey of 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is YUDCYZDTZSCVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-23(2)8-14-21(16(26)10-23)20(13-5-6-18-19(7-13)29-12-28-18)22-15(25-14)9-24(3,4)11-17(22)27/h5-7,20,25H,8-12H2,1-4H3.
What are the key properties of 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 393.48 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1,3-benzodioxol-5-yl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 982995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).