9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C32H33Cl4NO3 — CID 126064044

IUPAC9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C32H33Cl4NO3/c1-6-37-23-12-31(2,3)14-25(38)28(23)27(29-24(37)13-32(4,5)15-26(29)39)20-9-19(34)11-22(36)30(20)40-16-17-7-8-18(33)10-21(17)35/h7-11,27H,6,12-16H2,1-5H3
InChIKeyQFONXTUPKIEWLM-UHFFFAOYSA-N
MW621.43 g/mol
LogP9.58
Rot. Bonds5

About 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126064044) has the molecular formula C32H33Cl4NO3 and a molecular weight of 621.43 g/mol. Its IUPAC name is 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID126064044
Molecular FormulaC32H33Cl4NO3
Molecular Weight621.43 g/mol
Exact Mass619.12
IUPAC Name9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O
InChIInChI=1S/C32H33Cl4NO3/c1-6-37-23-12-31(2,3)14-25(38)28(23)27(29-24(37)13-32(4,5)15-26(29)39)20-9-19(34)11-22(36)30(20)40-16-17-7-8-18(33)10-21(17)35/h7-11,27H,6,12-16H2,1-5H3
InChIKeyQFONXTUPKIEWLM-UHFFFAOYSA-N
XLogP9.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.43
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-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

2-[9-[3,5-dichloro-2-[(4-nitrophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 126051201
4-[[2,4-dichloro-6-[10-(2-methoxyethyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenoxy]methyl]benzoic acid
CID 126074472
2-[4-chloro-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231587
9-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-5-prop-2-enylphenyl]-10-(3-methoxypropyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126079030
(4R)-2-amino-4-[3,5-dibromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]-1-(2-methoxyethyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 126143252
9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126056328
2-[4-chloro-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126259519
3-[9-[3,5-dibromo-2-[(2-chlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126073583
2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126230876
2-[9-[3,5-dibromo-2-[(4-chlorophenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 126056657
2-[2-chloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-chlorophenyl)acetamide
CID 126231686
2-[2,6-dichloro-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126259179

Frequently Asked Questions

What is the IUPAC name of 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 126064044) is 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O.
What is the InChIKey of 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is QFONXTUPKIEWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33Cl4NO3/c1-6-37-23-12-31(2,3)14-25(38)28(23)27(29-24(37)13-32(4,5)15-26(29)39)20-9-19(34)11-22(36)30(20)40-16-17-7-8-18(33)10-21(17)35/h7-11,27H,6,12-16H2,1-5H3.
What are the key properties of 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 621.43 g/mol, XLogP of 9.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3,5-dichloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126064044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).