(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate

C20H13NO5 — CID 122221274

IUPAC(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C20H13NO5/c1-25-15-9-8-12-10-14(7-6-13(12)11-15)20(24)26-21-18(22)16-4-2-3-5-17(16)19(21)23/h2-11H,1H3
InChIKeyXAEJEBYQRUEEOA-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.22
Rot. Bonds3

About (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate

(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate (PubChem CID 122221274) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
PubChem CID122221274
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate
SMILESCOc1ccc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1
InChIInChI=1S/C20H13NO5/c1-25-15-9-8-12-10-14(7-6-13(12)11-15)20(24)26-21-18(22)16-4-2-3-5-17(16)19(21)23/h2-11H,1H3
InChIKeyXAEJEBYQRUEEOA-UHFFFAOYSA-N
XLogP3.22
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(1,3-dioxoisoindol-2-yl)propanoate
CID 23827826
(1,3-dioxoisoindol-2-yl) 3,5-difluorobenzoate
CID 154719363
(1,3-dioxoisoindol-2-yl) 4-formylbenzoate
CID 155905846
(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate
CID 5062983
(1,3-dioxoisoindol-2-yl) 3-(trifluoromethyl)benzoate
CID 91726288
(2S)-2-(1,3-dioxoisoindol-2-yl)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 66624353
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
naphthalen-2-yl 4-methoxybenzoate
CID 532400
(2-chlorophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491320
(3-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491316
2-[3-(6-methoxynaphthalen-2-yl)phenyl]isoindole-1,3-dione
CID 168516695
2-(2,2-difluoro-1-phenylethenyl)-6-methoxynaphthalene
CID 132933173

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate?
The IUPAC name of (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate (CID 122221274) is (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate is COc1ccc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate?
The InChIKey is XAEJEBYQRUEEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c1-25-15-9-8-12-10-14(7-6-13(12)11-15)20(24)26-21-18(22)16-4-2-3-5-17(16)19(21)23/h2-11H,1H3.
What are the key properties of (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate?
(1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate has a molecular weight of 347.33 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl) 6-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 122221274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).