2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide

C17H19N5O3 — CID 47078412

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
SMILESCC(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)Cn1cccn1
InChIInChI=1S/C17H19N5O3/c1-12(10-21-8-4-7-19-21)9-18-15(23)11-22-16(24)13-5-2-3-6-14(13)20-17(22)25/h2-8,12H,9-11H2,1H3,(H,18,23)(H,20,25)
InChIKeyCGAAZNLQXSYCRF-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.34
Rot. Bonds6

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide (PubChem CID 47078412) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
PubChem CID47078412
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
SMILESCC(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)Cn1cccn1
InChIInChI=1S/C17H19N5O3/c1-12(10-21-8-4-7-19-21)9-18-15(23)11-22-16(24)13-5-2-3-6-14(13)20-17(22)25/h2-8,12H,9-11H2,1H3,(H,18,23)(H,20,25)
InChIKeyCGAAZNLQXSYCRF-UHFFFAOYSA-N
XLogP0.34
TPSA101.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide (CID 47078412) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide is CC(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)Cn1cccn1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is CGAAZNLQXSYCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-12(10-21-8-4-7-19-21)9-18-15(23)11-22-16(24)13-5-2-3-6-14(13)20-17(22)25/h2-8,12H,9-11H2,1H3,(H,18,23)(H,20,25).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 341.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 47078412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).