9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C28H29BrN2O2 — CID 134692320

IUPAC9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1
InChIInChI=1S/C28H29BrN2O2/c1-27(2)12-20-25(22(32)14-27)24(17-7-9-18(29)10-8-17)26-21(13-28(3,4)15-23(26)33)31(20)19-6-5-11-30-16-19/h5-11,16,24H,12-15H2,1-4H3
InChIKeyUOHFNQDWMJQWKG-UHFFFAOYSA-N
MW505.46 g/mol
LogP6.73
Rot. Bonds2

About 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 134692320) has the molecular formula C28H29BrN2O2 and a molecular weight of 505.46 g/mol. Its IUPAC name is 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID134692320
Molecular FormulaC28H29BrN2O2
Molecular Weight505.46 g/mol
Exact Mass504.14
IUPAC Name9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1
InChIInChI=1S/C28H29BrN2O2/c1-27(2)12-20-25(22(32)14-27)24(17-7-9-18(29)10-8-17)26-21(13-28(3,4)15-23(26)33)31(20)19-6-5-11-30-16-19/h5-11,16,24H,12-15H2,1-4H3
InChIKeyUOHFNQDWMJQWKG-UHFFFAOYSA-N
XLogP6.73
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.46
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3E,4R)-3-[hydroxy(phenyl)methylidene]-2-imino-7,7-dimethyl-4-(4-methylsulfanylphenyl)-1-pyridin-3-yl-6,8-dihydro-4H-quinolin-5-one
CID 135627196
10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-9-(4-methylphenyl)-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 22333794
2-amino-4-(4-hydroxy-3-methoxyphenyl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3157948
4-(1,3-benzodioxol-5-yl)-7,7-dimethyl-5-oxo-1-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 5297094
(4R)-1-(5-bromo-2-pyridinyl)-7,7-dimethyl-5-oxo-4-pyridin-3-yl-2-pyrrol-1-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 42578869
(3E)-1-(3-bromophenyl)-3-[hydroxy-(4-methylphenyl)methylidene]-2-imino-7,7-dimethyl-4-pyridin-3-yl-6,8-dihydro-4H-quinolin-5-one
CID 135598322
2-amino-7,7-dimethyl-1-(4-methylphenyl)-5-oxo-4-pyridin-3-yl-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2969258
2-amino-1-(3-bromophenyl)-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 3268374
methyl 2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3748174
10-(2-methoxyphenyl)-9-[4-[10-(2-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]phenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 53232693
10-(4-bromophenyl)-2-(4-chlorophenyl)-8,8-dimethyl-5-(4-methylphenyl)-1,2,3,5,7,9-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 56837255
(4R)-2-amino-1-(4-bromophenyl)-7,7-dimethyl-4-(4-nitrophenyl)-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 1248082

Frequently Asked Questions

What is the IUPAC name of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 134692320) is 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is CC1(C)CC(=O)C2=C(C1)N(c1cccnc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1.
What is the InChIKey of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is UOHFNQDWMJQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29BrN2O2/c1-27(2)12-20-25(22(32)14-27)24(17-7-9-18(29)10-8-17)26-21(13-28(3,4)15-23(26)33)31(20)19-6-5-11-30-16-19/h5-11,16,24H,12-15H2,1-4H3.
What are the key properties of 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 505.46 g/mol, XLogP of 6.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-bromophenyl)-3,3,6,6-tetramethyl-10-pyridin-3-yl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 134692320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).