2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C20H26N4O4S — CID 5003069

IUPAC2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2ccccc2c1=O
InChIInChI=1S/C20H26N4O4S/c1-28-13-12-24-19(27)15-6-2-3-7-16(15)22-20(24)29-14-17(25)21-9-5-11-23-10-4-8-18(23)26/h2-3,6-7H,4-5,8-14H2,1H3,(H,21,25)
InChIKeyHVFPZUNNHPJPBF-UHFFFAOYSA-N
MW418.52 g/mol
LogP1.26
Rot. Bonds10

About 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 5003069) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID5003069
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC Name2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2ccccc2c1=O
InChIInChI=1S/C20H26N4O4S/c1-28-13-12-24-19(27)15-6-2-3-7-16(15)22-20(24)29-14-17(25)21-9-5-11-23-10-4-8-18(23)26/h2-3,6-7H,4-5,8-14H2,1H3,(H,21,25)
InChIKeyHVFPZUNNHPJPBF-UHFFFAOYSA-N
XLogP1.26
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]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

2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
CID 726944
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
Ethyl 2-[3-(cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 791485
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
Ethyl 2-[3-(2-methylpropyl)-4-oxo-3-hydroquinazolin-2-ylthio]acetate
CID 856662
2-[3-(Cyclopentylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetonitrile
CID 1815492
N-(cyclohexylcarbamoyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2084944
2-(4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-propylacetamide
CID 2434718
3-Methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 2635428
2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanylacetonitrile
CID 2865023

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 5003069) is 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is COCCn1c(SCC(=O)NCCCN2CCCC2=O)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is HVFPZUNNHPJPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-28-13-12-24-19(27)15-6-2-3-7-16(15)22-20(24)29-14-17(25)21-9-5-11-23-10-4-8-18(23)26/h2-3,6-7H,4-5,8-14H2,1H3,(H,21,25).
What are the key properties of 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 418.52 g/mol, XLogP of 1.26, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 5003069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).