methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate

C33H37NO6 — CID 5322481

IUPACmethyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
SMILESCOC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(OC)cc3OC)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C33H37NO6/c1-32(2)15-23-29(25(35)17-32)28(19-8-10-20(11-9-19)31(37)40-7)30-24(16-33(3,4)18-26(30)36)34(23)22-13-12-21(38-5)14-27(22)39-6/h8-14,28H,15-18H2,1-7H3
InChIKeyZXUSGNATZMOEQY-UHFFFAOYSA-N
MW543.66 g/mol
LogP6.38
Rot. Bonds5

About methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate

methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate (PubChem CID 5322481) has the molecular formula C33H37NO6 and a molecular weight of 543.66 g/mol. Its IUPAC name is methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
PubChem CID5322481
Molecular FormulaC33H37NO6
Molecular Weight543.66 g/mol
Exact Mass543.26
IUPAC Namemethyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
SMILESCOC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(OC)cc3OC)C3=C2C(=O)CC(C)(C)C3)cc1
InChIInChI=1S/C33H37NO6/c1-32(2)15-23-29(25(35)17-32)28(19-8-10-20(11-9-19)31(37)40-7)30-24(16-33(3,4)18-26(30)36)34(23)22-13-12-21(38-5)14-27(22)39-6/h8-14,28H,15-18H2,1-7H3
InChIKeyZXUSGNATZMOEQY-UHFFFAOYSA-N
XLogP6.38
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate 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

methyl 4-[10-(3-chloro-4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
CID 15993207
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
methyl 2-amino-1-(4-bromophenyl)-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carboxylate
CID 3748174
dimethyl 4-(4-chlorophenyl)-1-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-2,3-dicarboxylate
CID 56925513
10-(2-chlorophenyl)-9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 42645874
methyl 4-[3,3,6,6-tetramethyl-10-[(4-methylphenyl)methyl]-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate
CID 15995617
methyl 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)benzoate
CID 3127859
N-[9-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl]pyridine-4-carboxamide
CID 54580383
1-(2,4-dimethoxyphenyl)-4-(furan-2-yl)-7,7-dimethyl-3,4,6,8-tetrahydroquinoline-2,5-dione
CID 23887321
2-[2-methoxy-4-(3,3,6,6,10-pentamethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 2968100
9-(2-methoxyphenyl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-acridine-1,8-dione
CID 1362259
methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3103347

Frequently Asked Questions

What is the IUPAC name of methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate?
The IUPAC name of 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) is methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate.
What is the SMILES notation for methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate?
The canonical SMILES for methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate is COC(=O)c1ccc(C2C3=C(CC(C)(C)CC3=O)N(c3ccc(OC)cc3OC)C3=C2C(=O)CC(C)(C)C3)cc1.
What is the InChIKey of methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate?
The InChIKey is ZXUSGNATZMOEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37NO6/c1-32(2)15-23-29(25(35)17-32)28(19-8-10-20(11-9-19)31(37)40-7)30-24(16-33(3,4)18-26(30)36)34(23)22-13-12-21(38-5)14-27(22)39-6/h8-14,28H,15-18H2,1-7H3.
What are the key properties of methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate?
methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate has a molecular weight of 543.66 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[10-(2,4-dimethoxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-9-yl]benzoate is sourced from PubChem (CID 5322481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).