ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate

C22H20N4O3 — CID 3064538

IUPACethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKeyJMMKMNYAOKFWBF-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.31
Rot. Bonds5

About ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate

ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (PubChem CID 3064538) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
PubChem CID3064538
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Nameethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccc2)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKeyJMMKMNYAOKFWBF-UHFFFAOYSA-N
XLogP3.31
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate (CID 3064538) is ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccc2)c1-n1c(CC)nc2ccccc2c1=O.
What is the InChIKey of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is JMMKMNYAOKFWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-19-24-18-13-9-8-12-16(18)21(27)25(19)20-17(22(28)29-4-2)14-23-26(20)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3.
What are the key properties of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate?
ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 388.43 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 3064538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).