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

C17H18N4O3 — CID 3064535

IUPACethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O3/c1-4-14-19-13-9-7-6-8-11(13)16(22)21(14)15-12(10-18-20(15)3)17(23)24-5-2/h6-10H,4-5H2,1-3H3
InChIKeyJDNCODGUJTXTPI-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.86
Rot. Bonds4

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

ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate (PubChem CID 3064535) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate
PubChem CID3064535
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O3/c1-4-14-19-13-9-7-6-8-11(13)16(22)21(14)15-12(10-18-20(15)3)17(23)24-5-2/h6-10H,4-5H2,1-3H3
InChIKeyJDNCODGUJTXTPI-UHFFFAOYSA-N
XLogP1.86
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.86
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-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate (CID 3064535) is ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1-n1c(CC)nc2ccccc2c1=O.
What is the InChIKey of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate?
The InChIKey is JDNCODGUJTXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-14-19-13-9-7-6-8-11(13)16(22)21(14)15-12(10-18-20(15)3)17(23)24-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate?
ethyl 5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazole-4-carboxylate has a molecular weight of 326.36 g/mol, XLogP of 1.86, 4 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-methylpyrazole-4-carboxylate is sourced from PubChem (CID 3064535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).