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

C17H18N4O3 — CID 3074667

IUPACethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cnn(C)c1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O3/c1-4-24-15(22)9-12-10-18-20(3)16(12)21-11(2)19-14-8-6-5-7-13(14)17(21)23/h5-8,10H,4,9H2,1-3H3
InChIKeyXZIATLQDPNXYAO-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.53
Rot. Bonds4

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

ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate (PubChem CID 3074667) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate
PubChem CID3074667
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Nameethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate
SMILESCCOC(=O)Cc1cnn(C)c1-n1c(C)nc2ccccc2c1=O
InChIInChI=1S/C17H18N4O3/c1-4-24-15(22)9-12-10-18-20(3)16(12)21-11(2)19-14-8-6-5-7-13(14)17(21)23/h5-8,10H,4,9H2,1-3H3
InChIKeyXZIATLQDPNXYAO-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
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, 5-(2-ethyl-4-oxo-3(4H)-quinzolinyl)-1-methyl-, ethyl ester
CID 3074668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate?
The IUPAC name of ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate (CID 3074667) is ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate is CCOC(=O)Cc1cnn(C)c1-n1c(C)nc2ccccc2c1=O.
What is the InChIKey of ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate?
The InChIKey is XZIATLQDPNXYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-24-15(22)9-12-10-18-20(3)16(12)21-11(2)19-14-8-6-5-7-13(14)17(21)23/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate?
ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate has a molecular weight of 326.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-methyl-5-(2-methyl-4-oxoquinazolin-3-yl)pyrazol-4-yl]acetate is sourced from PubChem (CID 3074667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).