ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate

C18H20N4O3 — CID 3074668

IUPACethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cnn(C)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C18H20N4O3/c1-4-15-20-14-9-7-6-8-13(14)18(24)22(15)17-12(11-19-21(17)3)10-16(23)25-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNNRPUEWRBMWEBT-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.79
Rot. Bonds5

About ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate

ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate (PubChem CID 3074668) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate
PubChem CID3074668
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Nameethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cnn(C)c1-n1c(CC)nc2ccccc2c1=O
InChIInChI=1S/C18H20N4O3/c1-4-15-20-14-9-7-6-8-13(14)18(24)22(15)17-12(11-19-21(17)3)10-16(23)25-5-2/h6-9,11H,4-5,10H2,1-3H3
InChIKeyNNRPUEWRBMWEBT-UHFFFAOYSA-N
XLogP1.79
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-butyl-N-(2-methyl-5-(1-methyl-1H-pyrazol-5-ylcarbamoyl)phenyl)-1H-pyrazole-4-carboxamide
CID 52942431
4(3H)-Quinazolinone, 3-(1-methyl-1H-pyrazol-5-yl)-
CID 63995
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
CID 3064533
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester, monohydrate
CID 3064534
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-methyl-, ethyl ester
CID 3064535
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
CID 3064536
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-methyl-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
CID 3064537
Pyrazole-4-carboxylic acid, 5-(3,4-dihydro-2-ethyl-4-oxoquinazolin-3-yl)-1-phenyl-, ethyl ester
CID 3064538
2-[5-methyl-4-(morpholine-4-carbonyl)pyrazol-1-yl]-3H-quinazolin-4-one
CID 137049237
4(3H)-Quinazolinone, 3-(1-phenyl-1H-pyrazol-5-yl)-
CID 63190
1H-Pyrazole-4-acetic acid, 1-methyl-5-(4-oxo-3(4H)-quinazolinyl)-, ethyl ester
CID 3074666
1H-Pyrazole-4-acetic acid, 1-methyl-5-(2-methyl-4-oxo-3(4H)-quinazolinyl)-, ethyl ester
CID 3074667

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate?
The IUPAC name of ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate (CID 3074668) is ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate is CCOC(=O)Cc1cnn(C)c1-n1c(CC)nc2ccccc2c1=O.
What is the InChIKey of ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate?
The InChIKey is NNRPUEWRBMWEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-4-15-20-14-9-7-6-8-13(14)18(24)22(15)17-12(11-19-21(17)3)10-16(23)25-5-2/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate?
ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate has a molecular weight of 340.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(2-ethyl-4-oxoquinazolin-3-yl)-1-methylpyrazol-4-yl]acetate is sourced from PubChem (CID 3074668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).