6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline

C24H19F3N2OS — CID 141477658

IUPAC6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline
SMILESCOc1ccc2nc(-c3c(C)cccc3SC(F)(F)F)nc(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H19F3N2OS/c1-14-7-9-16(10-8-14)22-18-13-17(30-3)11-12-19(18)28-23(29-22)21-15(2)5-4-6-20(21)31-24(25,26)27/h4-13H,1-3H3
InChIKeyWIDALKMFKKVHRG-UHFFFAOYSA-N
MW440.49 g/mol
LogP7.20
Rot. Bonds4

About 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline

6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline (PubChem CID 141477658) has the molecular formula C24H19F3N2OS and a molecular weight of 440.49 g/mol. Its IUPAC name is 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline.

Molecular Properties

Compound Name6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline
PubChem CID141477658
Molecular FormulaC24H19F3N2OS
Molecular Weight440.49 g/mol
Exact Mass440.12
IUPAC Name6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline
SMILESCOc1ccc2nc(-c3c(C)cccc3SC(F)(F)F)nc(-c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H19F3N2OS/c1-14-7-9-16(10-8-14)22-18-13-17(30-3)11-12-19(18)28-23(29-22)21-15(2)5-4-6-20(21)31-24(25,26)27/h4-13H,1-3H3
InChIKeyWIDALKMFKKVHRG-UHFFFAOYSA-N
XLogP7.20
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.49
LogP ≤ 57.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-4-(4-methoxyphenyl)-2-phenylquinazoline
CID 101425277
2-(4-methoxy-2,6-dimethylphenyl)-4-(4-methylphenyl)quinazoline
CID 177453043
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
ethyl 4-(6-methoxy-2-phenylquinazolin-4-yl)benzoate
CID 101425278
9-methoxy-2-methyl-6-phenylphenanthridine
CID 50902217
2-(4-methoxyphenyl)-6-methylquinazolin-4-amine
CID 64983774
6-methoxy-2-methyl-4-(4-methylphenyl)quinoline
CID 101221850
6-methoxy-N-methyl-N-(4-methylphenyl)-4-(trifluoromethyl)quinolin-2-amine
CID 171779431
3-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-6-methylquinoxalin-2-yl]phenyl]-6-methylquinoxaline
CID 58883088
(8R)-8-tert-butyl-2-methoxy-6-(4-methylphenyl)-7,8,9,10-tetrahydrophenanthridine
CID 139095651
6-methoxy-4-(4-methoxyphenyl)-2-(trifluoromethyl)quinoline
CID 135018947
6-chloro-4-(4-fluorophenyl)-2-(2-methylphenyl)quinazoline
CID 141477649

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline?
The IUPAC name of 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline (CID 141477658) is 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline.
What is the SMILES notation for 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline?
The canonical SMILES for 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline is COc1ccc2nc(-c3c(C)cccc3SC(F)(F)F)nc(-c3ccc(C)cc3)c2c1.
What is the InChIKey of 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline?
The InChIKey is WIDALKMFKKVHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N2OS/c1-14-7-9-16(10-8-14)22-18-13-17(30-3)11-12-19(18)28-23(29-22)21-15(2)5-4-6-20(21)31-24(25,26)27/h4-13H,1-3H3.
What are the key properties of 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline?
6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline has a molecular weight of 440.49 g/mol, XLogP of 7.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(4-methylphenyl)-2-[2-methyl-6-(trifluoromethylsulfanyl)phenyl]quinazoline is sourced from PubChem (CID 141477658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).