(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate

C25H21NO6 — CID 88878421

IUPAC(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
SMILESCOC(=O)c1cc(C)c(OC(=O)c2c3cc(O)ccc3nc3ccc(OC)cc23)c(C)c1
InChIInChI=1S/C25H21NO6/c1-13-9-15(24(28)31-4)10-14(2)23(13)32-25(29)22-18-11-16(27)5-7-20(18)26-21-8-6-17(30-3)12-19(21)22/h5-12,27H,1-4H3
InChIKeyBCAQIOIZHMQSBN-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.72
Rot. Bonds4

About (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate

(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate (PubChem CID 88878421) has the molecular formula C25H21NO6 and a molecular weight of 431.44 g/mol. Its IUPAC name is (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate.

Molecular Properties

Compound Name(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
PubChem CID88878421
Molecular FormulaC25H21NO6
Molecular Weight431.44 g/mol
Exact Mass431.14
IUPAC Name(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
SMILESCOC(=O)c1cc(C)c(OC(=O)c2c3cc(O)ccc3nc3ccc(OC)cc23)c(C)c1
InChIInChI=1S/C25H21NO6/c1-13-9-15(24(28)31-4)10-14(2)23(13)32-25(29)22-18-11-16(27)5-7-20(18)26-21-8-6-17(30-3)12-19(21)22/h5-12,27H,1-4H3
InChIKeyBCAQIOIZHMQSBN-UHFFFAOYSA-N
XLogP4.72
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

methyl 4-[(2,7-dihydroxyacridin-9-yl)oxyamino]oxy-3,5-dimethylbenzoate
CID 143363540
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate
CID 89316585
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 2-dimethoxyphosphoryloxyacridine-9-carboxylate
CID 21043522
(4-methoxycarbonyl-2,6-dimethylphenyl) 2-[5-(dimethylamino)-2,4-dimethylpentoxy]-7-[3-(dimethylamino)-2-methylbutoxy]acridine-9-carboxylate
CID 122544481
(4-methoxycarbonyl-2,6-dimethylphenyl) 2,7-bis[3-[2,2,2-trifluoro-1-(4-methylphenyl)ethoxy]sulfanylpropoxy]acridine-9-carboxylate
CID 166673042
(4-methoxycarbonylphenyl) 2,6-dimethylacridine-9-carboxylate
CID 91210999
methyl 3-hydroxyacridine-9-carboxylate
CID 135618678
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
[9-(4-carboxy-2,6-dimethylphenoxy)carbonyl-7-methoxy-10-methylacridin-10-ium-2-yl] phosphate
CID 21043505
methyl 6-acetyloxy-4-methylnaphthalene-2-carboxylate
CID 155685944
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-ethoxybenzo[b]acridine-12-carboxylate
CID 21459665

Frequently Asked Questions

What is the IUPAC name of (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate?
The IUPAC name of (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate (CID 88878421) is (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate.
What is the SMILES notation for (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate?
The canonical SMILES for (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate is COC(=O)c1cc(C)c(OC(=O)c2c3cc(O)ccc3nc3ccc(OC)cc23)c(C)c1.
What is the InChIKey of (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate?
The InChIKey is BCAQIOIZHMQSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO6/c1-13-9-15(24(28)31-4)10-14(2)23(13)32-25(29)22-18-11-16(27)5-7-20(18)26-21-8-6-17(30-3)12-19(21)22/h5-12,27H,1-4H3.
What are the key properties of (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate?
(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate has a molecular weight of 431.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate is sourced from PubChem (CID 88878421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).