1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine

C16H14FN3S — CID 107524879

IUPAC1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
SMILESNC(CSc1ncnc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3S/c17-12-7-5-11(6-8-12)14(18)9-21-16-13-3-1-2-4-15(13)19-10-20-16/h1-8,10,14H,9,18H2
InChIKeyULBOZCHABDOUNY-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.56
Rot. Bonds4

About 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine

1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine (PubChem CID 107524879) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
PubChem CID107524879
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC Name1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine
SMILESNC(CSc1ncnc2ccccc12)c1ccc(F)cc1
InChIInChI=1S/C16H14FN3S/c17-12-7-5-11(6-8-12)14(18)9-21-16-13-3-1-2-4-15(13)19-10-20-16/h1-8,10,14H,9,18H2
InChIKeyULBOZCHABDOUNY-UHFFFAOYSA-N
XLogP3.56
TPSA51.80 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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62579327
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanone
CID 2595063
4-(3-bromo-2-phenylpropyl)sulfanylquinazoline
CID 65015814
N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
CID 64632868
1-cyclohexyl-2-quinazolin-4-ylsulfanylethanamine
CID 104755506
3,3,3-trifluoro-N'-hydroxy-2-(quinazolin-4-ylsulfanylmethyl)propanimidamide
CID 103371328
4-[[4-(quinazolin-4-ylsulfanylmethyl)phenyl]methylsulfanyl]quinazoline
CID 4851541
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(quinolin-2-ylmethylsulfanyl)quinazoline
CID 6919194
N-ethyl-1-quinazolin-4-ylsulfanylpentan-2-amine
CID 64633855
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761229
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone
CID 17423624

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine (CID 107524879) is 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine is NC(CSc1ncnc2ccccc12)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine?
The InChIKey is ULBOZCHABDOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c17-12-7-5-11(6-8-12)14(18)9-21-16-13-3-1-2-4-15(13)19-10-20-16/h1-8,10,14H,9,18H2.
What are the key properties of 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine?
1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine has a molecular weight of 299.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-quinazolin-4-ylsulfanylethanamine is sourced from PubChem (CID 107524879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).