1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide

C21H16N2O4 — CID 515969

IUPAC1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESCOc1ccc2cc(CN3C(=O)C(=O)c4cc(C(N)=O)ccc43)ccc2c1
InChIInChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25)
InChIKeyQHDRHZHPVMYYGX-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.68
Rot. Bonds4

About 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide

1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide (PubChem CID 515969) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide.

Molecular Properties

Compound Name1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
PubChem CID515969
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide
SMILESCOc1ccc2cc(CN3C(=O)C(=O)c4cc(C(N)=O)ccc43)ccc2c1
InChIInChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25)
InChIKeyQHDRHZHPVMYYGX-UHFFFAOYSA-N
XLogP2.68
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The IUPAC name of 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide (CID 515969) is 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide.
What is the SMILES notation for 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The canonical SMILES for 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide is COc1ccc2cc(CN3C(=O)C(=O)c4cc(C(N)=O)ccc43)ccc2c1.
What is the InChIKey of 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
The InChIKey is QHDRHZHPVMYYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-27-16-6-4-13-8-12(2-3-14(13)9-16)11-23-18-7-5-15(20(22)25)10-17(18)19(24)21(23)26/h2-10H,11H2,1H3,(H2,22,25).
What are the key properties of 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide?
1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dioxoindole-5-carboxamide is sourced from PubChem (CID 515969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).