9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C27H33Br2NO3 — CID 126056328

IUPAC9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C27H33Br2NO3/c1-7-30-18-11-26(3,4)13-20(31)23(18)22(24-19(30)12-27(5,6)14-21(24)32)16-9-15(28)10-17(29)25(16)33-8-2/h9-10,22H,7-8,11-14H2,1-6H3
InChIKeyYPQHVQMWMRAPKI-UHFFFAOYSA-N
MW579.37 g/mol
LogP7.32
Rot. Bonds4

About 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 126056328) has the molecular formula C27H33Br2NO3 and a molecular weight of 579.37 g/mol. Its IUPAC name is 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID126056328
Molecular FormulaC27H33Br2NO3
Molecular Weight579.37 g/mol
Exact Mass577.08
IUPAC Name9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC)C2=C1C(=O)CC(C)(C)C2
InChIInChI=1S/C27H33Br2NO3/c1-7-30-18-11-26(3,4)13-20(31)23(18)22(24-19(30)12-27(5,6)14-21(24)32)16-9-15(28)10-17(29)25(16)33-8-2/h9-10,22H,7-8,11-14H2,1-6H3
InChIKeyYPQHVQMWMRAPKI-UHFFFAOYSA-N
XLogP7.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.37
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione with MolForge

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Related Compounds

2-[2,4-dibromo-6-(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 126266187
2-[2,4-dibromo-6-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,5-dimethylphenyl)acetamide
CID 126274385
9-(3,5-dibromo-2-prop-2-ynoxyphenyl)-3,3,6,6,10-pentamethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126053215
2-[9-(3,5-dibromo-2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]acetic acid
CID 126054051
2-[2,6-dibromo-4-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]acetamide
CID 126233280
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-[2,4-dibromo-6-(3,3,6,6-tetramethyl-1,8-dioxo-10-propyl-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 126268803
3-[9-[3,5-dibromo-2-[(4-methylphenyl)methoxy]phenyl]-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]propanoic acid
CID 126077654
2-[2-(10-benzyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)-4,6-dibromophenoxy]-N-(2-methylphenyl)acetamide
CID 126255055
2-[4-bromo-2-(10-ethyl-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-methylacetamide
CID 46741693
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
9-[3,5-dibromo-4-[(4-fluorophenyl)methoxy]phenyl]-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 126050717

Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 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) is 9-(3,5-dibromo-2-ethoxyphenyl)-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-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CCOc1c(Br)cc(Br)cc1C1C2=C(CC(C)(C)CC2=O)N(CC)C2=C1C(=O)CC(C)(C)C2.
What is the InChIKey of 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is YPQHVQMWMRAPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33Br2NO3/c1-7-30-18-11-26(3,4)13-20(31)23(18)22(24-19(30)12-27(5,6)14-21(24)32)16-9-15(28)10-17(29)25(16)33-8-2/h9-10,22H,7-8,11-14H2,1-6H3.
What are the key properties of 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 579.37 g/mol, XLogP of 7.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dibromo-2-ethoxyphenyl)-10-ethyl-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 126056328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).