(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate

C24H19NO4 — CID 91210999

IUPAC(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2c3ccc(C)cc3nc3ccc(C)cc23)cc1
InChIInChI=1S/C24H19NO4/c1-14-5-11-20-19(12-14)22(18-10-4-15(2)13-21(18)25-20)24(27)29-17-8-6-16(7-9-17)23(26)28-3/h4-13H,1-3H3
InChIKeyMOVQYTYVQWNFKY-UHFFFAOYSA-N
MW385.42 g/mol
LogP5.01
Rot. Bonds3

About (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate

(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate (PubChem CID 91210999) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate
PubChem CID91210999
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate
SMILESCOC(=O)c1ccc(OC(=O)c2c3ccc(C)cc3nc3ccc(C)cc23)cc1
InChIInChI=1S/C24H19NO4/c1-14-5-11-20-19(12-14)22(18-10-4-15(2)13-21(18)25-20)24(27)29-17-8-6-16(7-9-17)23(26)28-3/h4-13H,1-3H3
InChIKeyMOVQYTYVQWNFKY-UHFFFAOYSA-N
XLogP5.01
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
(4-methoxycarbonylphenyl) 2,4-dimethylbenzoate
CID 8961318
[4-(4-methoxycarbonylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 59024973
(4-methoxycarbonylphenyl) 2,5-dimethylbenzoate
CID 7956904
(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
CID 88878421
methyl 4-(2-methylphenanthridin-6-yl)benzoate
CID 134946434
1-O-methyl 2-O-phenyl 3-(4-methoxybenzoyl)oxy-6-(3-methylbenzoyl)oxybenzene-1,2-dicarboxylate
CID 144750310
4-[4-(4-methoxycarbonylphenoxy)carbonylbenzoyl]oxybenzoic acid
CID 130452470
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 3-amino-7-methylquinoline-4-carboxylate
CID 115029491

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate?
The IUPAC name of (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate (CID 91210999) is (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate.
What is the SMILES notation for (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate?
The canonical SMILES for (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate is COC(=O)c1ccc(OC(=O)c2c3ccc(C)cc3nc3ccc(C)cc23)cc1.
What is the InChIKey of (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate?
The InChIKey is MOVQYTYVQWNFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-14-5-11-20-19(12-14)22(18-10-4-15(2)13-21(18)25-20)24(27)29-17-8-6-16(7-9-17)23(26)28-3/h4-13H,1-3H3.
What are the key properties of (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate?
(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate is sourced from PubChem (CID 91210999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).