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

C26H30N2O2 — CID 4606769

IUPAC3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCn1c(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc2ccccc21
InChIInChI=1S/C26H30N2O2/c1-25(2)11-16-22(20(29)13-25)24(19-10-15-8-6-7-9-18(15)28(19)5)23-17(27-16)12-26(3,4)14-21(23)30/h6-10,24,27H,11-14H2,1-5H3
InChIKeyTXVPPTPQPLJSHB-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.15
Rot. Bonds1

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

3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione (PubChem CID 4606769) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione.

Molecular Properties

Compound Name3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
PubChem CID4606769
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
SMILESCn1c(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc2ccccc21
InChIInChI=1S/C26H30N2O2/c1-25(2)11-16-22(20(29)13-25)24(19-10-15-8-6-7-9-18(15)28(19)5)23-17(27-16)12-26(3,4)14-21(23)30/h6-10,24,27H,11-14H2,1-5H3
InChIKeyTXVPPTPQPLJSHB-UHFFFAOYSA-N
XLogP5.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

3,3,6,6-tetramethyl-9-(4-methylphenyl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 985441
9-(3,4-difluorophenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117846
9-(4-chloro-3-phenylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117821
(7S)-10,10-dimethyl-7-phenyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 40523336
9-[5-(2-chlorophenyl)furan-2-yl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 983377
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
3,3,6,6-tetramethyl-9-[3-(trifluoromethyl)phenyl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 1147848
5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7299675
9-[3,5-dibromo-2-(naphthalen-1-ylmethoxy)phenyl]-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 126045168
7-(2-hydroxyphenyl)-10,10-dimethyl-7,9,11,12-tetrahydronaphtho[1,2-b]quinolin-8-one
CID 42597035
9-(2-chloro-3-pyridinyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 51058218
9-(3,5-dibromo-4-hydroxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 23775565

Frequently Asked Questions

What is the IUPAC name of 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The IUPAC name of 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione (CID 4606769) is 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione.
What is the SMILES notation for 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The canonical SMILES for 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione is Cn1c(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc2ccccc21.
What is the InChIKey of 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
The InChIKey is TXVPPTPQPLJSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-25(2)11-16-22(20(29)13-25)24(19-10-15-8-6-7-9-18(15)28(19)5)23-17(27-16)12-26(3,4)14-21(23)30/h6-10,24,27H,11-14H2,1-5H3.
What are the key properties of 3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione?
3,3,6,6-tetramethyl-9-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione has a molecular weight of 402.54 g/mol, XLogP of 5.15, 1 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-(1-methylindol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione is sourced from PubChem (CID 4606769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).