6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one

C22H17BrN2OS — CID 2222928

IUPAC6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one
SMILESC[C@H](Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17BrN2OS/c1-15(16-8-4-2-5-9-16)27-22-24-20-13-12-17(23)14-19(20)21(26)25(22)18-10-6-3-7-11-18/h2-15H,1H3/t15-/m0/s1
InChIKeyHVZJEUXZBXJKKM-HNNXBMFYSA-N
MW437.36 g/mol
LogP6.00
Rot. Bonds4

About 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one

6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one (PubChem CID 2222928) has the molecular formula C22H17BrN2OS and a molecular weight of 437.36 g/mol. Its IUPAC name is 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one
PubChem CID2222928
Molecular FormulaC22H17BrN2OS
Molecular Weight437.36 g/mol
Exact Mass436.02
IUPAC Name6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one
SMILESC[C@H](Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17BrN2OS/c1-15(16-8-4-2-5-9-16)27-22-24-20-13-12-17(23)14-19(20)21(26)25(22)18-10-6-3-7-11-18/h2-15H,1H3/t15-/m0/s1
InChIKeyHVZJEUXZBXJKKM-HNNXBMFYSA-N
XLogP6.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.36
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(2-ethoxyethylsulfanyl)-3-phenylquinazolin-4-one
CID 7876774
2-(6-bromo-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-methylacetamide
CID 7876762
6-bromo-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2983129
3-(3,4-dimethoxyphenyl)-2-[(1R)-1-phenylethyl]sulfanylquinazolin-4-one
CID 9408090
6-bromo-3-(3-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 2981621
2-(3-amino-6-bromo-4-oxoquinazolin-2-yl)sulfanyl-2-phenylacetic acid
CID 44590762
ethyl (2R)-2-(6-iodo-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanoate
CID 27137096
3-(4-ethylphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7846312
6-bromo-3-methyl-2-propylsulfanylquinazolin-4-one
CID 2981657
5-[6-bromo-4-oxo-3-(1-phenylethyl)quinazolin-2-yl]sulfanylpentanenitrile
CID 112783579
3-(4-ethoxyphenyl)-2-[(1S)-1-(4-fluorophenyl)ethyl]sulfanylquinazolin-4-one
CID 7857004
6-bromo-2-prop-2-enylsulfanyl-3-pyridin-3-ylquinazolin-4-one
CID 177325708

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one?
The IUPAC name of 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one (CID 2222928) is 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one is C[C@H](Sc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1)c1ccccc1.
What is the InChIKey of 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one?
The InChIKey is HVZJEUXZBXJKKM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H17BrN2OS/c1-15(16-8-4-2-5-9-16)27-22-24-20-13-12-17(23)14-19(20)21(26)25(22)18-10-6-3-7-11-18/h2-15H,1H3/t15-/m0/s1.
What are the key properties of 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one?
6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one has a molecular weight of 437.36 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-phenyl-2-[(1S)-1-phenylethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 2222928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).