10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione

C30H32ClNO3 — CID 42645874

IUPAC10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H32ClNO3/c1-29(2)14-22-27(24(33)16-29)26(18-10-12-19(35-5)13-11-18)28-23(15-30(3,4)17-25(28)34)32(22)21-9-7-6-8-20(21)31/h6-13,26H,14-17H2,1-5H3
InChIKeyABAOHXYGIZNENG-UHFFFAOYSA-N
MW490.04 g/mol
LogP7.24
Rot. Bonds3

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

10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (PubChem CID 42645874) has the molecular formula C30H32ClNO3 and a molecular weight of 490.04 g/mol. Its IUPAC name is 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.

Molecular Properties

Compound Name10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
PubChem CID42645874
Molecular FormulaC30H32ClNO3
Molecular Weight490.04 g/mol
Exact Mass489.21
IUPAC Name10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
SMILESCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C30H32ClNO3/c1-29(2)14-22-27(24(33)16-29)26(18-10-12-19(35-5)13-11-18)28-23(15-30(3,4)17-25(28)34)32(22)21-9-7-6-8-20(21)31/h6-13,26H,14-17H2,1-5H3
InChIKeyABAOHXYGIZNENG-UHFFFAOYSA-N
XLogP7.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.04
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
dimethyl 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-2,3-dicarboxylate
CID 56925513
(4R)-1-(3-chlorophenyl)-3-[hydroxy(phenyl)methylidene]-2-imino-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 136717909
(4S)-2-amino-4-(2-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
CID 2222121
methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
CID 5322481
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1362259
(3E,4S)-1-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-2-imino-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 135570084
(4R)-1-(4-bromophenyl)-3-[hydroxy(phenyl)methylidene]-2-imino-4-(4-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 136868587
methyl 2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3748174
1-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23773203
(3E)-1-(3-chloro-2-methylphenyl)-3-[hydroxy-(4-methoxyphenyl)methylidene]-2-imino-4-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-one
CID 135698100
9-(3-hydroxyphenyl)-10-(2-iodophenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 71568453

Frequently Asked Questions

What is the IUPAC name of 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The IUPAC name of 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione (CID 42645874) is 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione.
What is the SMILES notation for 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The canonical SMILES for 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
The InChIKey is ABAOHXYGIZNENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32ClNO3/c1-29(2)14-22-27(24(33)16-29)26(18-10-12-19(35-5)13-11-18)28-23(15-30(3,4)17-25(28)34)32(22)21-9-7-6-8-20(21)31/h6-13,26H,14-17H2,1-5H3.
What are the key properties of 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione?
10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione has a molecular weight of 490.04 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione is sourced from PubChem (CID 42645874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).