2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one

C18H16F2N2OS — CID 51365343

IUPAC2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O
InChIInChI=1S/C18H16F2N2OS/c1-2-9-22-17(23)14-5-3-4-6-16(14)21-18(22)24-11-12-7-8-13(19)10-15(12)20/h3-8,10H,2,9,11H2,1H3
InChIKeyMWDHEFNSRVURGI-UHFFFAOYSA-N
MW346.40 g/mol
LogP4.38
Rot. Bonds5

About 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one

2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one (PubChem CID 51365343) has the molecular formula C18H16F2N2OS and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one
PubChem CID51365343
Molecular FormulaC18H16F2N2OS
Molecular Weight346.40 g/mol
Exact Mass346.10
IUPAC Name2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one
SMILESCCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O
InChIInChI=1S/C18H16F2N2OS/c1-2-9-22-17(23)14-5-3-4-6-16(14)21-18(22)24-11-12-7-8-13(19)10-15(12)20/h3-8,10H,2,9,11H2,1H3
InChIKeyMWDHEFNSRVURGI-UHFFFAOYSA-N
XLogP4.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-difluorophenyl)methylsulfanyl]-3-(3-ethoxypropyl)quinazolin-4-one
CID 51365613
N-(2,4-difluorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329888
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329684
2-[(3,5-difluorophenyl)methylsulfanyl]-3-[2-(dimethylamino)ethyl]quinazolin-4-one
CID 51365359
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 2080830
2-[(3,5-difluorophenyl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
CID 51365372
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-pentylquinazolin-4-one
CID 51365508
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 2089296
3-ethyl-2-(naphthalen-1-ylmethylsulfanyl)quinazolin-4-one
CID 977444
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-[2-(cyclohexen-1-yl)ethyl]quinazolin-4-one
CID 5158913
2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-3-pentylquinazolin-4-one
CID 91811154

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one?
The IUPAC name of 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one (CID 51365343) is 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one.
What is the SMILES notation for 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one?
The canonical SMILES for 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one is CCCn1c(SCc2ccc(F)cc2F)nc2ccccc2c1=O.
What is the InChIKey of 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one?
The InChIKey is MWDHEFNSRVURGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2OS/c1-2-9-22-17(23)14-5-3-4-6-16(14)21-18(22)24-11-12-7-8-13(19)10-15(12)20/h3-8,10H,2,9,11H2,1H3.
What are the key properties of 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one?
2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one has a molecular weight of 346.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenyl)methylsulfanyl]-3-propylquinazolin-4-one is sourced from PubChem (CID 51365343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).