3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

C22H19N3OS — CID 52566819

IUPAC3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
SMILESCCc1ccccc1-n1c(SCc2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C22H19N3OS/c1-2-17-9-3-6-12-20(17)25-21(26)18-10-4-5-11-19(18)24-22(25)27-15-16-8-7-13-23-14-16/h3-14H,2,15H2,1H3
InChIKeyJBRBNFPLSAZIRM-UHFFFAOYSA-N
MW373.48 g/mol
LogP4.64
Rot. Bonds5

About 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one

3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (PubChem CID 52566819) has the molecular formula C22H19N3OS and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
PubChem CID52566819
Molecular FormulaC22H19N3OS
Molecular Weight373.48 g/mol
Exact Mass373.12
IUPAC Name3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
SMILESCCc1ccccc1-n1c(SCc2cccnc2)nc2ccccc2c1=O
InChIInChI=1S/C22H19N3OS/c1-2-17-9-3-6-12-20(17)25-21(26)18-10-4-5-11-19(18)24-22(25)27-15-16-8-7-13-23-14-16/h3-14H,2,15H2,1H3
InChIKeyJBRBNFPLSAZIRM-UHFFFAOYSA-N
XLogP4.64
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one 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

3-amino-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 53366599
3-(2-ethylphenyl)-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazolin-4-one
CID 8665814
methyl 2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetate
CID 1432217
7-chloro-3-(2,3-dimethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 35191278
3-(2-ethylphenyl)-2-[(3-propyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one
CID 36819270
3-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-one
CID 43811736
2-[(4-fluorophenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)quinazolin-4-one
CID 51365215
2-benzylsulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 2385702
3-[4-(morpholine-4-carbonyl)phenyl]-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one
CID 3479065
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide
CID 8665789
3-(2-methoxyphenyl)-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 3968928
2-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylpropyl)acetamide
CID 8665777

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one (CID 52566819) is 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is CCc1ccccc1-n1c(SCc2cccnc2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
The InChIKey is JBRBNFPLSAZIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3OS/c1-2-17-9-3-6-12-20(17)25-21(26)18-10-4-5-11-19(18)24-22(25)27-15-16-8-7-13-23-14-16/h3-14H,2,15H2,1H3.
What are the key properties of 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one?
3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one has a molecular weight of 373.48 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylphenyl)-2-(pyridin-3-ylmethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 52566819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).