4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline

C28H19F3N2O2S — CID 174605463

IUPAC4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline
SMILESCS(=O)(=O)c1c(-c2ccccc2)cccc1-c1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C28H19F3N2O2S/c1-36(34,35)26-20(18-10-4-2-5-11-18)14-8-16-22(26)24-21-15-9-17-23(28(29,30)31)25(21)33-27(32-24)19-12-6-3-7-13-19/h2-17H,1H3
InChIKeyWRAVHLYSNKVSOQ-UHFFFAOYSA-N
MW504.53 g/mol
LogP7.05
Rot. Bonds4

About 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline

4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline (PubChem CID 174605463) has the molecular formula C28H19F3N2O2S and a molecular weight of 504.53 g/mol. Its IUPAC name is 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline
PubChem CID174605463
Molecular FormulaC28H19F3N2O2S
Molecular Weight504.53 g/mol
Exact Mass504.11
IUPAC Name4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline
SMILESCS(=O)(=O)c1c(-c2ccccc2)cccc1-c1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12
InChIInChI=1S/C28H19F3N2O2S/c1-36(34,35)26-20(18-10-4-2-5-11-18)14-8-16-22(26)24-21-15-9-17-23(28(29,30)31)25(21)33-27(32-24)19-12-6-3-7-13-19/h2-17H,1H3
InChIKeyWRAVHLYSNKVSOQ-UHFFFAOYSA-N
XLogP7.05
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-phenyl-8-(trifluoromethyl)quinazoline
CID 68735637
2-[3-(2-methylsulfonylphenyl)phenyl]-3-phenyl-8-(trifluoromethyl)quinoline
CID 68939881
2-methyl-4-[3-(3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinazoline
CID 25262704
2-[2-phenyl-8-(trifluoromethyl)quinazolin-4-yl]sulfanyl-N-propylacetamide
CID 3869650
2-(2-chloro-6-methylsulfonyl-3-phenylphenyl)-3-methyl-8-(trifluoromethyl)quinoline
CID 174583242
3-[2,8-bis(trifluoromethyl)quinolin-4-yl]aniline
CID 16728100
4-(4,5-dinaphthalen-1-ylnaphthalen-1-yl)-2-phenylbenzo[h]quinazoline
CID 146261931
4-[4-[2,3-bis[4-(2-phenylquinazolin-4-yl)phenyl]phenyl]phenyl]-2-phenylquinazoline
CID 170025871
5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-2-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 3314010
4-[3-(4-fluoro-3-methylsulfonylphenyl)phenyl]-8-(trifluoromethyl)quinoline
CID 46887891
[3-[8-(trifluoromethyl)quinolin-4-yl]phenyl] 3-methylsulfonylbenzoate
CID 56597856
5-(2-methylsulfonyl-3-phenylphenyl)-2-propan-2-yl-1H-imidazole
CID 141331497

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline (CID 174605463) is 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline is CS(=O)(=O)c1c(-c2ccccc2)cccc1-c1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12.
What is the InChIKey of 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline?
The InChIKey is WRAVHLYSNKVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19F3N2O2S/c1-36(34,35)26-20(18-10-4-2-5-11-18)14-8-16-22(26)24-21-15-9-17-23(28(29,30)31)25(21)33-27(32-24)19-12-6-3-7-13-19/h2-17H,1H3.
What are the key properties of 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline?
4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline has a molecular weight of 504.53 g/mol, XLogP of 7.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfonyl-3-phenylphenyl)-2-phenyl-8-(trifluoromethyl)quinazoline is sourced from PubChem (CID 174605463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).