2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

C22H25N3O4S — CID 2276281

IUPAC2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCOCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O4S/c1-3-29-13-7-12-25-21(27)18-10-4-5-11-19(18)24-22(25)30-15-20(26)23-16-8-6-9-17(14-16)28-2/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyPNQBGWCSFZZUGX-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.56
Rot. Bonds10

About 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide

2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (PubChem CID 2276281) has the molecular formula C22H25N3O4S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
PubChem CID2276281
Molecular FormulaC22H25N3O4S
Molecular Weight427.53 g/mol
Exact Mass427.16
IUPAC Name2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide
SMILESCCOCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O
InChIInChI=1S/C22H25N3O4S/c1-3-29-13-7-12-25-21(27)18-10-4-5-11-19(18)24-22(25)30-15-20(26)23-16-8-6-9-17(14-16)28-2/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,26)
InChIKeyPNQBGWCSFZZUGX-UHFFFAOYSA-N
XLogP3.56
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)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

N-[4-(4-fluorophenoxy)cyclohexyl]-3-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]propanamide
CID 136249378
Ethyl 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-3-hydroquinazolin-2-ylthio}ace tate
CID 1071945
3-Ethyl-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 2105619
N-[2-(difluoromethoxy)phenyl]-2-[3-(3-morpholin-4-ylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3957854
2-{[2-(2-fluorophenoxy)ethyl]sulfanyl}quinazolin-4(1H)-one
CID 135435929
N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3538174
Smr000111404
CID 135449239
N-(2,5-diethoxyphenyl)-2-[(3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetamide
CID 650996
N~1~-(2,5-dimethoxyphenyl)-N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]glycinamide
CID 3237928
2-(3-methoxyanilino)-4(3H)-quinazolinone
CID 135415783
3-(3-Methoxyphenyl)-2-methylquinazolin-4-one
CID 657815
2-{[4-(3-methoxyphenyl)piperazin-1-yl]methyl}quinazolin-4(1H)-one
CID 135412978

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide (CID 2276281) is 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is CCOCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
The InChIKey is PNQBGWCSFZZUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4S/c1-3-29-13-7-12-25-21(27)18-10-4-5-11-19(18)24-22(25)30-15-20(26)23-16-8-6-9-17(14-16)28-2/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,23,26).
What are the key properties of 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide?
2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 2276281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).