N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine

C16H14FN3S — CID 80869962

IUPACN-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C16H14FN3S/c1-2-18-16-19-14-6-4-3-5-13(14)15(20-16)21-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyQGVJTSBZKZANBF-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.35
Rot. Bonds4

About N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine

N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine (PubChem CID 80869962) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
PubChem CID80869962
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC NameN-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2ccc(F)cc2)c2ccccc2n1
InChIInChI=1S/C16H14FN3S/c1-2-18-16-19-14-6-4-3-5-13(14)15(20-16)21-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyQGVJTSBZKZANBF-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
CID 80873489
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80882976
N-ethyl-4-(1-methyltetrazol-5-yl)sulfanylquinazolin-2-amine
CID 80887083
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylquinazolin-2-amine
CID 80887617
N-ethyl-5-fluoro-4-phenylsulfanylpyrimidin-2-amine
CID 80887336
N-propyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)quinazolin-2-amine
CID 80885003
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
4-(3-methylbutylsulfanyl)-N-propylquinazolin-2-amine
CID 107765966
N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine
CID 80924343

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine?
The IUPAC name of N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine (CID 80869962) is N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine is CCNc1nc(Sc2ccc(F)cc2)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine?
The InChIKey is QGVJTSBZKZANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-2-18-16-19-14-6-4-3-5-13(14)15(20-16)21-12-9-7-11(17)8-10-12/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine?
N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine has a molecular weight of 299.37 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-fluorophenyl)sulfanylquinazolin-2-amine is sourced from PubChem (CID 80869962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).