(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate

C30H31NO7 — CID 89316585

IUPAC(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate
SMILESCCCCOC(=O)c1cc(C)c(OC(=O)c2c3cc(OC)ccc3nc3c(OC)cc(OC)cc23)c(C)c1
InChIInChI=1S/C30H31NO7/c1-7-8-11-37-29(32)19-12-17(2)28(18(3)13-19)38-30(33)26-22-14-20(34-4)9-10-24(22)31-27-23(26)15-21(35-5)16-25(27)36-6/h9-10,12-16H,7-8,11H2,1-6H3
InChIKeyBKSJIVJIWAATSR-UHFFFAOYSA-N
MW517.58 g/mol
LogP6.21
Rot. Bonds9

About (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate

(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate (PubChem CID 89316585) has the molecular formula C30H31NO7 and a molecular weight of 517.58 g/mol. Its IUPAC name is (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate.

Molecular Properties

Compound Name(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate
PubChem CID89316585
Molecular FormulaC30H31NO7
Molecular Weight517.58 g/mol
Exact Mass517.21
IUPAC Name(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate
SMILESCCCCOC(=O)c1cc(C)c(OC(=O)c2c3cc(OC)ccc3nc3c(OC)cc(OC)cc23)c(C)c1
InChIInChI=1S/C30H31NO7/c1-7-8-11-37-29(32)19-12-17(2)28(18(3)13-19)38-30(33)26-22-14-20(34-4)9-10-24(22)31-27-23(26)15-21(35-5)16-25(27)36-6/h9-10,12-16H,7-8,11H2,1-6H3
InChIKeyBKSJIVJIWAATSR-UHFFFAOYSA-N
XLogP6.21
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.58
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate 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

(4-butoxycarbonyl-2,6-dimethylphenyl) 4-methoxyacridine-9-carboxylate
CID 89316556
dodecyl 4-methoxy-3-methylbenzoate
CID 54385488
phenyl 2,7-dimethoxyacridine-9-carboxylate
CID 19364944
butyl 3,6-dihydroxy-2-(2-hydroxy-7-methoxynaphthalen-1-yl)benzoate
CID 132553399
icosyl 4-methoxybenzoate
CID 71438594
bis[4-(4-tetradecoxycarbonylphenoxy)carbonylphenyl] 5-methoxybenzene-1,3-dicarboxylate
CID 102179326
3-O-(4-methoxyphenyl) 1-O-nonyl benzene-1,3-dicarboxylate
CID 91740458
butyl 2,6-dimethylpyridine-4-carboxylate
CID 66665942
(2,6-dimethyl-4-phenylmethoxycarbonylphenyl) 3-ethoxybenzo[b]acridine-12-carboxylate
CID 21459665
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
methane;pentyl 3-methoxybenzoate
CID 175424879
(4-methoxycarbonyl-2,6-dimethylphenyl) 2,7-bis[3-[2,2,2-trifluoro-1-(4-methylphenyl)ethoxy]sulfanylpropoxy]acridine-9-carboxylate
CID 166673042

Frequently Asked Questions

What is the IUPAC name of (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate?
The IUPAC name of (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate (CID 89316585) is (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate.
What is the SMILES notation for (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate?
The canonical SMILES for (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate is CCCCOC(=O)c1cc(C)c(OC(=O)c2c3cc(OC)ccc3nc3c(OC)cc(OC)cc23)c(C)c1.
What is the InChIKey of (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate?
The InChIKey is BKSJIVJIWAATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO7/c1-7-8-11-37-29(32)19-12-17(2)28(18(3)13-19)38-30(33)26-22-14-20(34-4)9-10-24(22)31-27-23(26)15-21(35-5)16-25(27)36-6/h9-10,12-16H,7-8,11H2,1-6H3.
What are the key properties of (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate?
(4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate has a molecular weight of 517.58 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxycarbonyl-2,6-dimethylphenyl) 2,4,7-trimethoxyacridine-9-carboxylate is sourced from PubChem (CID 89316585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).