(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

C24H25N2O3+ — CID 9318556

IUPAC(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2C[NH+](C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C24H24N2O3/c1-4-16-6-10-22-21(12-16)23(27)24(28)26(22)15-25(2)14-17-5-7-19-13-20(29-3)9-8-18(19)11-17/h5-13H,4,14-15H2,1-3H3/p+1
InChIKeyIZLQPRKWEWGGEX-UHFFFAOYSA-O
MW389.48 g/mol
LogP2.61
Rot. Bonds6

About (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium

(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (PubChem CID 9318556) has the molecular formula C24H25N2O3+ and a molecular weight of 389.48 g/mol. Its IUPAC name is (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.

Molecular Properties

Compound Name(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
PubChem CID9318556
Molecular FormulaC24H25N2O3+
Molecular Weight389.48 g/mol
Exact Mass389.19
IUPAC Name(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium
SMILESCCc1ccc2c(c1)C(=O)C(=O)N2C[NH+](C)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C24H24N2O3/c1-4-16-6-10-22-21(12-16)23(27)24(28)26(22)15-25(2)14-17-5-7-19-13-20(29-3)9-8-18(19)11-17/h5-13H,4,14-15H2,1-3H3/p+1
InChIKeyIZLQPRKWEWGGEX-UHFFFAOYSA-O
XLogP2.61
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(cyclopropylamino)-2-oxoethyl]-[(5-ethyl-2,3-dioxoindol-1-yl)methyl]-methylazanium
CID 9317334
1-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-5-ethylindole-2,3-dione
CID 9285618
5-methoxy-1-(methoxymethyl)indole-2,3-dione
CID 129354242
1-(2-ethylsulfonylethyl)-5-methoxyindole-2,3-dione
CID 61355618
trifluoro-[(5-methoxy-2,3-dioxoindol-1-yl)methyl]boranuide
CID 63702848
1-heptyl-5-methoxyindole-2,3-dione
CID 61354808
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
1-[(3,5-dimethylphenyl)methyl]-5-(4-methoxyphenyl)indole-2,3-dione
CID 141372231
1-[(4-methoxyphenyl)methyl]-2,3-dioxoindole-5-sulfonic acid
CID 129219106
5-ethyl-1-[2-(ethylamino)ethyl]indole-2,3-dione
CID 61388464
1-but-2-ynyl-5-methoxyindole-2,3-dione
CID 55057460
[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl-[(4-methoxyphenyl)methyl]-methylazanium
CID 7911380

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The IUPAC name of (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium (CID 9318556) is (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium.
What is the SMILES notation for (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The canonical SMILES for (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is CCc1ccc2c(c1)C(=O)C(=O)N2C[NH+](C)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
The InChIKey is IZLQPRKWEWGGEX-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H24N2O3/c1-4-16-6-10-22-21(12-16)23(27)24(28)26(22)15-25(2)14-17-5-7-19-13-20(29-3)9-8-18(19)11-17/h5-13H,4,14-15H2,1-3H3/p+1.
What are the key properties of (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium?
(5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium has a molecular weight of 389.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,3-dioxoindol-1-yl)methyl-[(6-methoxynaphthalen-2-yl)methyl]-methylazanium is sourced from PubChem (CID 9318556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).