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

C17H19N5O3 — CID 94798530

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide
SMILESC[C@@H](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)/t12-/m0/s1
InChIKeyCGAAZNLQXSYCRF-LBPRGKRZSA-N
MW341.37 g/mol
LogP0.34
Rot. Bonds6

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

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide (PubChem CID 94798530) 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-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide
PubChem CID94798530
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide
SMILESC[C@@H](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)/t12-/m0/s1
InChIKeyCGAAZNLQXSYCRF-LBPRGKRZSA-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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Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-methyl-3-pyrazol-1-ylpropyl)acetamide
CID 47078412
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]propanamide
CID 94026684
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-2-oxo-1,3-dihydroimidazo[4,5-b]pyridine-5-carboxamide
CID 100755134
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119587739
N-[3-(aminomethyl)pentan-3-yl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119570994
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-pyridin-3-ylacetamide
CID 4906968
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813334
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110898816

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide (CID 94798530) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide is C[C@@H](CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)Cn1cccn1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide?
The InChIKey is CGAAZNLQXSYCRF-LBPRGKRZSA-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)/t12-/m0/s1.
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-[(2S)-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-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]acetamide is sourced from PubChem (CID 94798530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).