2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one

C16H13FN2OS — CID 2652423

IUPAC2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
SMILESCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2OS/c1-2-21-16-18-14-6-4-3-5-13(14)15(20)19(16)12-9-7-11(17)8-10-12/h3-10H,2H2,1H3
InChIKeyJHNVQMFVQLRTAE-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.64
Rot. Bonds3

About 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one

2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one (PubChem CID 2652423) has the molecular formula C16H13FN2OS and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
PubChem CID2652423
Molecular FormulaC16H13FN2OS
Molecular Weight300.36 g/mol
Exact Mass300.07
IUPAC Name2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one
SMILESCCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H13FN2OS/c1-2-21-16-18-14-6-4-3-5-13(14)15(20)19(16)12-9-7-11(17)8-10-12/h3-10H,2H2,1H3
InChIKeyJHNVQMFVQLRTAE-UHFFFAOYSA-N
XLogP3.64
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-difluorophenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365622
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 2348050
3-(4-ethylphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7846312
N-(2,6-diethylphenyl)-2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 23913419
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one
CID 2360521
4-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 4011950
2-[(4-ethenylphenyl)methylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 51365616
2-ethylsulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one
CID 2086040
N-ethoxy-2-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylmethylsulfanyl]acetamide
CID 42743909
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 3568329
3-(4-fluorophenyl)-2-[(4-nitrophenyl)methylsulfanyl]quinazolin-4-one
CID 2097847

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one?
The IUPAC name of 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one (CID 2652423) is 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one is CCSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one?
The InChIKey is JHNVQMFVQLRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2OS/c1-2-21-16-18-14-6-4-3-5-13(14)15(20)19(16)12-9-7-11(17)8-10-12/h3-10H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one?
2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one has a molecular weight of 300.36 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-(4-fluorophenyl)quinazolin-4-one is sourced from PubChem (CID 2652423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).