ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate

C19H18N2O3 — CID 4557299

IUPACethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(c2ccccc2)CC1=O
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)18-17(22)13-16(14-9-5-3-6-10-14)21(20-18)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyCWDKUMOHKMQXFH-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.13
Rot. Bonds4

About ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate

ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate (PubChem CID 4557299) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate
PubChem CID4557299
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate
SMILESCCOC(=O)C1=NN(c2ccccc2)C(c2ccccc2)CC1=O
InChIInChI=1S/C19H18N2O3/c1-2-24-19(23)18-17(22)13-16(14-9-5-3-6-10-14)21(20-18)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3
InChIKeyCWDKUMOHKMQXFH-UHFFFAOYSA-N
XLogP3.13
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate?
The IUPAC name of ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate (CID 4557299) is ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate.
What is the SMILES notation for ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate?
The canonical SMILES for ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate is CCOC(=O)C1=NN(c2ccccc2)C(c2ccccc2)CC1=O.
What is the InChIKey of ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate?
The InChIKey is CWDKUMOHKMQXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-24-19(23)18-17(22)13-16(14-9-5-3-6-10-14)21(20-18)15-11-7-4-8-12-15/h3-12,16H,2,13H2,1H3.
What are the key properties of ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate?
ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-2,3-diphenyl-3,4-dihydropyridazine-6-carboxylate is sourced from PubChem (CID 4557299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).