Skip to content

3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one

C21H17ClN4O2S — CID 60564067

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1c(Cl)cccc1-n1c(SCc2noc(C3CC3)n2)nc2ccccc2c1=O
InChIInChI=1S/C21H17ClN4O2S/c1-12-15(22)6-4-8-17(12)26-20(27)14-5-2-3-7-16(14)23-21(26)29-11-18-24-19(28-25-18)13-9-10-13/h2-8,13H,9-11H2,1H3
InChIKeyYJHRTINRXPRVDY-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.90
Rot. Bonds5

About 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one

3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one (PubChem CID 60564067) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
PubChem CID60564067
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one
SMILESCc1c(Cl)cccc1-n1c(SCc2noc(C3CC3)n2)nc2ccccc2c1=O
InChIInChI=1S/C21H17ClN4O2S/c1-12-15(22)6-4-8-17(12)26-20(27)14-5-2-3-7-16(14)23-21(26)29-11-18-24-19(28-25-18)13-9-10-13/h2-8,13H,9-11H2,1H3
InChIKeyYJHRTINRXPRVDY-UHFFFAOYSA-N
XLogP4.90
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]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

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
The IUPAC name of 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one (CID 60564067) is 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one.
What is the SMILES notation for 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
The canonical SMILES for 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one is Cc1c(Cl)cccc1-n1c(SCc2noc(C3CC3)n2)nc2ccccc2c1=O.
What is the InChIKey of 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
The InChIKey is YJHRTINRXPRVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-12-15(22)6-4-8-17(12)26-20(27)14-5-2-3-7-16(14)23-21(26)29-11-18-24-19(28-25-18)13-9-10-13/h2-8,13H,9-11H2,1H3.
What are the key properties of 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one?
3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one has a molecular weight of 424.91 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methylphenyl)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]quinazolin-4-one is sourced from PubChem (CID 60564067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.