[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

C22H19N3O4 — CID 3915004

IUPAC[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCn1c(-c2ccccc2)c(C(=O)COC(=O)C2=NNC(=O)CC2)c2ccccc21
InChIInChI=1S/C22H19N3O4/c1-25-17-10-6-5-9-15(17)20(21(25)14-7-3-2-4-8-14)18(26)13-29-22(28)16-11-12-19(27)24-23-16/h2-10H,11-13H2,1H3,(H,24,27)
InChIKeyZQRHIWJACMENOO-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.84
Rot. Bonds5

About [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate

[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (PubChem CID 3915004) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.

Molecular Properties

Compound Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
PubChem CID3915004
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate
SMILESCn1c(-c2ccccc2)c(C(=O)COC(=O)C2=NNC(=O)CC2)c2ccccc21
InChIInChI=1S/C22H19N3O4/c1-25-17-10-6-5-9-15(17)20(21(25)14-7-3-2-4-8-14)18(26)13-29-22(28)16-11-12-19(27)24-23-16/h2-10H,11-13H2,1H3,(H,24,27)
InChIKeyZQRHIWJACMENOO-UHFFFAOYSA-N
XLogP2.84
TPSA89.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The IUPAC name of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate (CID 3915004) is [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate.
What is the SMILES notation for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The canonical SMILES for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is Cn1c(-c2ccccc2)c(C(=O)COC(=O)C2=NNC(=O)CC2)c2ccccc21.
What is the InChIKey of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
The InChIKey is ZQRHIWJACMENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-25-17-10-6-5-9-15(17)20(21(25)14-7-3-2-4-8-14)18(26)13-29-22(28)16-11-12-19(27)24-23-16/h2-10H,11-13H2,1H3,(H,24,27).
What are the key properties of [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate?
[2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-2-phenylindol-3-yl)-2-oxoethyl] 6-oxo-4,5-dihydro-1H-pyridazine-3-carboxylate is sourced from PubChem (CID 3915004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).