2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide

C16H21N5O3 — CID 119447887

IUPAC2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCN1CCNCC1
InChIInChI=1S/C16H21N5O3/c22-14(18-7-10-20-8-5-17-6-9-20)11-21-15(23)12-3-1-2-4-13(12)19-16(21)24/h1-4,17H,5-11H2,(H,18,22)(H,19,24)
InChIKeyDRCOLZYTGGZTRM-UHFFFAOYSA-N
MW331.38 g/mol
LogP-1.29
Rot. Bonds5

About 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide (PubChem CID 119447887) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
PubChem CID119447887
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide
SMILESO=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCN1CCNCC1
InChIInChI=1S/C16H21N5O3/c22-14(18-7-10-20-8-5-17-6-9-20)11-21-15(23)12-3-1-2-4-13(12)19-16(21)24/h1-4,17H,5-11H2,(H,18,22)(H,19,24)
InChIKeyDRCOLZYTGGZTRM-UHFFFAOYSA-N
XLogP-1.29
TPSA99.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3-methylbutyl)acetamide
CID 4064970
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813334
2-[4-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]piperazin-1-yl]-N-propylacetamide
CID 55669099
2-indolo[3,2-b]quinoxalin-6-yl-N-(2-piperazin-1-ylethyl)acetamide
CID 39070975
N-(2-amino-2-methylpropyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide;hydrochloride
CID 119629138
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 98786116
(2R)-2-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]-2-phenylacetate
CID 7692705
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(2-piperazin-1-ylethyl)acetamide
CID 119447338
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
5-(2,4-dioxo-1H-quinazolin-3-yl)-N-propylpentanamide
CID 119103654
3-[[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]amino]butanoic acid
CID 119221288
N-(1-amino-4-methylpentan-2-yl)-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 119587740

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide (CID 119447887) is 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide is O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCCN1CCNCC1.
What is the InChIKey of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide?
The InChIKey is DRCOLZYTGGZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c22-14(18-7-10-20-8-5-17-6-9-20)11-21-15(23)12-3-1-2-4-13(12)19-16(21)24/h1-4,17H,5-11H2,(H,18,22)(H,19,24).
What are the key properties of 2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide?
2-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-piperazin-1-ylethyl)acetamide has a molecular weight of 331.38 g/mol, XLogP of -1.29, 5 rotatable bonds, 3 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-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 119447887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).