4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline

C15H11F3N2OS — CID 21003666

IUPAC4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline
SMILESCc1ccc2nc(C(F)(F)F)nc(SCc3ccco3)c2c1
InChIInChI=1S/C15H11F3N2OS/c1-9-4-5-12-11(7-9)13(20-14(19-12)15(16,17)18)22-8-10-3-2-6-21-10/h2-7H,8H2,1H3
InChIKeyXQJCKHIPQKKQGG-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.84
Rot. Bonds3

About 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline

4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline (PubChem CID 21003666) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline
PubChem CID21003666
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline
SMILESCc1ccc2nc(C(F)(F)F)nc(SCc3ccco3)c2c1
InChIInChI=1S/C15H11F3N2OS/c1-9-4-5-12-11(7-9)13(20-14(19-12)15(16,17)18)22-8-10-3-2-6-21-10/h2-7H,8H2,1H3
InChIKeyXQJCKHIPQKKQGG-UHFFFAOYSA-N
XLogP4.84
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methoxyphenyl)-2-(2-propylquinazolin-4-yl)sulfanylethanone
CID 1442664
1-(Furan-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 2386629
1-(5-Methylfuran-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 5295556
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 654174
4-{[2-(4-Fluorophenoxy)ethyl]thio}-2-methylquinazoline
CID 2059943
N-(furan-2-ylmethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 9101783
1-[5-(Aminomethyl)thiophen-2-yl]-2-[6-methoxy-2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone
CID 168950923
4-(4-Methoxyphenyl)sulfanyl-6-methyl-2-(trifluoromethyl)quinazoline
CID 175421343
2-[2-Methyl-6-(trifluoromethoxy)quinazolin-4-yl]sulfanylacetaldehyde
CID 176152448
1-[5-(Aminomethyl)thiophen-2-yl]-2-[2-(difluoromethyl)-6-methoxyquinazolin-4-yl]sulfanylethanone
CID 176219688
5-[2-(5-Fluoro-6-methoxy-2-methylquinazolin-4-yl)sulfanylacetyl]thiophene-2-carbaldehyde
CID 178130812
1-(4-Fluorophenyl)-2-[2-(phenoxymethyl)quinazolin-4-yl]sulfanylethanone
CID 1451416

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline (CID 21003666) is 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline is Cc1ccc2nc(C(F)(F)F)nc(SCc3ccco3)c2c1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline?
The InChIKey is XQJCKHIPQKKQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-9-4-5-12-11(7-9)13(20-14(19-12)15(16,17)18)22-8-10-3-2-6-21-10/h2-7H,8H2,1H3.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline?
4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline has a molecular weight of 324.33 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-6-methyl-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 21003666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).