2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one

C22H17FN2OS — CID 175667679

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one
SMILESCc1ccc2nc(SCc3ccccc3F)n(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C22H17FN2OS/c1-15-11-12-20-18(13-15)21(26)25(17-8-3-2-4-9-17)22(24-20)27-14-16-7-5-6-10-19(16)23/h2-13H,14H2,1H3
InChIKeyFSOLNMJRZFEVQU-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.13
Rot. Bonds4

About 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one

2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one (PubChem CID 175667679) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one
PubChem CID175667679
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one
SMILESCc1ccc2nc(SCc3ccccc3F)n(-c3ccccc3)c(=O)c2c1
InChIInChI=1S/C22H17FN2OS/c1-15-11-12-20-18(13-15)21(26)25(17-8-3-2-4-9-17)22(24-20)27-14-16-7-5-6-10-19(16)23/h2-13H,14H2,1H3
InChIKeyFSOLNMJRZFEVQU-UHFFFAOYSA-N
XLogP5.13
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(difluoromethoxy)phenyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-one
CID 2478016
2-[(2,6-difluorophenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 1041923
2-[(3,5-dimethylphenyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 18225738
2-[(4-methyl-2-pyridinyl)methylsulfanyl]-3-phenylquinazolin-4-one
CID 14575169
3-[(2-fluorophenyl)methylsulfanyl]-5-methyl-4-phenyl-1,2,4-triazole
CID 6957225
7-methyl-3-(2-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]quinazolin-4-one
CID 20994803
(2-benzylsulfanyl-4-oxo-3-phenylquinazolin-6-yl) 4-methylbenzenesulfonate
CID 71472931
2-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]benzonitrile
CID 1288836
2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(4,5,6,7-tetrachloro-1,3-dioxoisoindol-2-yl)acetamide
CID 71730589
4-methoxy-3-[[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzaldehyde
CID 46479373
N-benzyl-2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-N-methyl-4-oxoquinazoline-7-carboxamide
CID 46362433
2-(6-fluoro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(2-hydroxy-5-methyl-1H-indol-3-yl)imino]acetamide
CID 135465677

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one (CID 175667679) is 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one is Cc1ccc2nc(SCc3ccccc3F)n(-c3ccccc3)c(=O)c2c1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one?
The InChIKey is FSOLNMJRZFEVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-15-11-12-20-18(13-15)21(26)25(17-8-3-2-4-9-17)22(24-20)27-14-16-7-5-6-10-19(16)23/h2-13H,14H2,1H3.
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one?
2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one has a molecular weight of 376.46 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-6-methyl-3-phenylquinazolin-4-one is sourced from PubChem (CID 175667679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).