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

C14H9F3N2OS — CID 21003260

IUPAC4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(SCc2ccco2)c2ccccc2n1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-11-6-2-1-5-10(11)12(19-13)21-8-9-4-3-7-20-9/h1-7H,8H2
InChIKeyVMLIZNVNMKJOTP-UHFFFAOYSA-N
MW310.30 g/mol
LogP4.53
Rot. Bonds3

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

4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline (PubChem CID 21003260) has the molecular formula C14H9F3N2OS and a molecular weight of 310.30 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline
PubChem CID21003260
Molecular FormulaC14H9F3N2OS
Molecular Weight310.30 g/mol
Exact Mass310.04
IUPAC Name4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline
SMILESFC(F)(F)c1nc(SCc2ccco2)c2ccccc2n1
InChIInChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-11-6-2-1-5-10(11)12(19-13)21-8-9-4-3-7-20-9/h1-7H,8H2
InChIKeyVMLIZNVNMKJOTP-UHFFFAOYSA-N
XLogP4.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
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-(4-Fluoro-phenyl)-7-methyl-quinazolin-4-ylsulfanyl]-N-furan-2-ylmethyl-acetamide
CID 648874
2-(furan-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 3233429
N-(2-furylmethyl)-2-(methylsulfanyl)-4-quinazolinamine
CID 3720072
2-(2-tert-butylquinazolin-4-yl)sulfanyl-N-(furan-2-ylmethyl)acetamide
CID 654174
2-(2-Tert-butylquinazolin-4-yl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 1442469
4-{[2-(4-Fluorophenoxy)ethyl]thio}-2-methylquinazoline
CID 2059943
N-(furan-2-ylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2396077
2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine
CID 3685285

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline (CID 21003260) is 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline is FC(F)(F)c1nc(SCc2ccco2)c2ccccc2n1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline?
The InChIKey is VMLIZNVNMKJOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2OS/c15-14(16,17)13-18-11-6-2-1-5-10(11)12(19-13)21-8-9-4-3-7-20-9/h1-7H,8H2.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline?
4-(furan-2-ylmethylsulfanyl)-2-(trifluoromethyl)quinazoline has a molecular weight of 310.30 g/mol, XLogP of 4.53, 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)-2-(trifluoromethyl)quinazoline is sourced from PubChem (CID 21003260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).