[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

C16H15N3O4 — CID 2415083

IUPAC[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1=CCC(=O)NN1
InChIInChI=1S/C16H15N3O4/c1-9-15(10-4-2-3-5-11(10)17-9)13(20)8-23-16(22)12-6-7-14(21)19-18-12/h2-6,17-18H,7-8H2,1H3,(H,19,21)
InChIKeyGONJYUFYDNQGAC-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.11
Rot. Bonds4

About [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (PubChem CID 2415083) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.

Molecular Properties

Compound Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
PubChem CID2415083
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate
SMILESCc1[nH]c2ccccc2c1C(=O)COC(=O)C1=CCC(=O)NN1
InChIInChI=1S/C16H15N3O4/c1-9-15(10-4-2-3-5-11(10)17-9)13(20)8-23-16(22)12-6-7-14(21)19-18-12/h2-6,17-18H,7-8H2,1H3,(H,19,21)
InChIKeyGONJYUFYDNQGAC-UHFFFAOYSA-N
XLogP1.11
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate with MolForge

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Related Compounds

[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] benzoate
CID 2689613
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(4-hydroxyphenyl)benzoate
CID 7209430
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010293
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 7448292
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,4-dichlorobenzoate
CID 7862850
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 32544911
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 7853705
[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 7191600
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-phenylbutanoate
CID 47003724
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-phenylsulfanylpropanoate
CID 7806393
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 1-phenylpyrazole-3-carboxylate
CID 91641525
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904136

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The IUPAC name of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate (CID 2415083) is [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate.
What is the SMILES notation for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The canonical SMILES for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1=CCC(=O)NN1.
What is the InChIKey of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
The InChIKey is GONJYUFYDNQGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-9-15(10-4-2-3-5-11(10)17-9)13(20)8-23-16(22)12-6-7-14(21)19-18-12/h2-6,17-18H,7-8H2,1H3,(H,19,21).
What are the key properties of [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate?
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate is sourced from PubChem (CID 2415083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).