2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline

C21H15ClN2OS — CID 134601826

IUPAC2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline
SMILESCS(=O)c1ccccc1-c1nc(Cl)nc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C21H15ClN2OS/c1-26(25)19-10-6-5-9-17(19)20-16-12-11-15(14-7-3-2-4-8-14)13-18(16)23-21(22)24-20/h2-13H,1H3
InChIKeyDBNVUFYGLIZHEA-UHFFFAOYSA-N
MW378.88 g/mol
LogP5.35
Rot. Bonds3

About 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline

2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline (PubChem CID 134601826) has the molecular formula C21H15ClN2OS and a molecular weight of 378.88 g/mol. Its IUPAC name is 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline.

Molecular Properties

Compound Name2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline
PubChem CID134601826
Molecular FormulaC21H15ClN2OS
Molecular Weight378.88 g/mol
Exact Mass378.06
IUPAC Name2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline
SMILESCS(=O)c1ccccc1-c1nc(Cl)nc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C21H15ClN2OS/c1-26(25)19-10-6-5-9-17(19)20-16-12-11-15(14-7-3-2-4-8-14)13-18(16)23-21(22)24-20/h2-13H,1H3
InChIKeyDBNVUFYGLIZHEA-UHFFFAOYSA-N
XLogP5.35
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.88
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(2-methylsulfinylphenyl)quinazoline-7-carbonitrile
CID 134601840
2-chloro-4-(4-phenanthren-9-ylphenyl)quinazoline
CID 142505066
2-chloro-5-phenylbenzo[e]perimidin-7-one
CID 163765774
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
2-methyl-4-phenyl-7-(3-phenylphenyl)quinazoline
CID 159677952
2-chloro-4-(2,4-dimethylphenyl)quinazoline
CID 170033242
2-chloro-4,6-diphenylquinazoline;4,6-diphenyl-1H-quinazolin-2-one
CID 161311284
2,6-dichloro-4-(2-chlorophenyl)quinazoline
CID 13033156
4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol
CID 135867879
2-methylsulfinyl-4-phenyl-1-propan-2-ylbenzene
CID 90046085
10-(2-chlorophenyl)-2-phenylphenanthrene
CID 172565671
2,3-dichloro-6-phenylquinoxaline
CID 97036461

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline?
The IUPAC name of 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline (CID 134601826) is 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline.
What is the SMILES notation for 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline?
The canonical SMILES for 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline is CS(=O)c1ccccc1-c1nc(Cl)nc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline?
The InChIKey is DBNVUFYGLIZHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2OS/c1-26(25)19-10-6-5-9-17(19)20-16-12-11-15(14-7-3-2-4-8-14)13-18(16)23-21(22)24-20/h2-13H,1H3.
What are the key properties of 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline?
2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline has a molecular weight of 378.88 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylsulfinylphenyl)-7-phenylquinazoline is sourced from PubChem (CID 134601826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).