phenyl 2,7-dimethoxyacridine-9-carboxylate

C22H17NO4 — CID 19364944

IUPACphenyl 2,7-dimethoxyacridine-9-carboxylate
SMILESCOc1ccc2nc3ccc(OC)cc3c(C(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C22H17NO4/c1-25-15-8-10-19-17(12-15)21(22(24)27-14-6-4-3-5-7-14)18-13-16(26-2)9-11-20(18)23-19/h3-13H,1-2H3
InChIKeyXGIRFCHGUWWUKO-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.62
Rot. Bonds4

About phenyl 2,7-dimethoxyacridine-9-carboxylate

phenyl 2,7-dimethoxyacridine-9-carboxylate (PubChem CID 19364944) has the molecular formula C22H17NO4 and a molecular weight of 359.38 g/mol. Its IUPAC name is phenyl 2,7-dimethoxyacridine-9-carboxylate.

Molecular Properties

Compound Namephenyl 2,7-dimethoxyacridine-9-carboxylate
PubChem CID19364944
Molecular FormulaC22H17NO4
Molecular Weight359.38 g/mol
Exact Mass359.12
IUPAC Namephenyl 2,7-dimethoxyacridine-9-carboxylate
SMILESCOc1ccc2nc3ccc(OC)cc3c(C(=O)Oc3ccccc3)c2c1
InChIInChI=1S/C22H17NO4/c1-25-15-8-10-19-17(12-15)21(22(24)27-14-6-4-3-5-7-14)18-13-16(26-2)9-11-20(18)23-19/h3-13H,1-2H3
InChIKeyXGIRFCHGUWWUKO-UHFFFAOYSA-N
XLogP4.62
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.62
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

(4-methoxycarbonyl-2,6-dimethylphenyl) 2-hydroxy-7-methoxyacridine-9-carboxylate
CID 88878421
diphenyl 4-methoxybenzene-1,2-dicarboxylate
CID 21306237
(4-chlorophenyl) acridine-9-carboxylate
CID 609870
diphenyl 3,6-bis[(4-methoxybenzoyl)oxy]benzene-1,2-dicarboxylate
CID 144750320
phenyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225760
[4-(4-phenoxycarbonyloxyphenoxy)carbonylphenyl] 4-methoxybenzoate
CID 144750294
bis(1-benzoyl-7-methoxynaphthalen-2-yl) benzene-1,4-dicarboxylate
CID 139085404
1-(7-methoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)ethanone
CID 82451979
2-[2-(4-methoxyphenyl)ethenyl]acridine-9-carboxylic acid
CID 152754992
ethyl 2-methoxy-6,11-dioxobenzo[b]acridine-12-carboxylate
CID 15417172
methyl acridine-9-carboxylate
CID 21211
ethane;methane;(3-methoxyphenyl) benzoate;propan-2-one
CID 159464781

Frequently Asked Questions

What is the IUPAC name of phenyl 2,7-dimethoxyacridine-9-carboxylate?
The IUPAC name of phenyl 2,7-dimethoxyacridine-9-carboxylate (CID 19364944) is phenyl 2,7-dimethoxyacridine-9-carboxylate.
What is the SMILES notation for phenyl 2,7-dimethoxyacridine-9-carboxylate?
The canonical SMILES for phenyl 2,7-dimethoxyacridine-9-carboxylate is COc1ccc2nc3ccc(OC)cc3c(C(=O)Oc3ccccc3)c2c1.
What is the InChIKey of phenyl 2,7-dimethoxyacridine-9-carboxylate?
The InChIKey is XGIRFCHGUWWUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4/c1-25-15-8-10-19-17(12-15)21(22(24)27-14-6-4-3-5-7-14)18-13-16(26-2)9-11-20(18)23-19/h3-13H,1-2H3.
What are the key properties of phenyl 2,7-dimethoxyacridine-9-carboxylate?
phenyl 2,7-dimethoxyacridine-9-carboxylate has a molecular weight of 359.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,7-dimethoxyacridine-9-carboxylate is sourced from PubChem (CID 19364944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).