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

C16H14FN3S — CID 80873489

IUPACN-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C16H14FN3S/c1-2-18-16-19-13-9-5-3-7-11(13)15(20-16)21-14-10-6-4-8-12(14)17/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyAJIVMPDEWZWNJF-UHFFFAOYSA-N
MW299.37 g/mol
LogP4.35
Rot. Bonds4

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

N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine (PubChem CID 80873489) has the molecular formula C16H14FN3S and a molecular weight of 299.37 g/mol. Its IUPAC name is N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
PubChem CID80873489
Molecular FormulaC16H14FN3S
Molecular Weight299.37 g/mol
Exact Mass299.09
IUPAC NameN-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine
SMILESCCNc1nc(Sc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C16H14FN3S/c1-2-18-16-19-13-9-5-3-7-11(13)15(20-16)21-14-10-6-4-8-12(14)17/h3-10H,2H2,1H3,(H,18,19,20)
InChIKeyAJIVMPDEWZWNJF-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-(4-fluorophenyl)sulfanylquinazolin-2-amine
CID 80869962
N-ethyl-4-pyridin-2-ylsulfanylquinazolin-2-amine
CID 80883177
N-ethyl-4-(1H-imidazol-2-ylsulfanyl)quinazolin-2-amine
CID 107784957
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
3-[2-(ethylamino)quinazolin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80882976
[4-(2,4-difluorophenyl)sulfanylquinazolin-2-yl]hydrazine
CID 80924343
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
2-N-ethyl-4-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80776501
2-N-ethyl-4-N-pentan-2-ylquinazoline-2,4-diamine
CID 80770804
2-N-ethyl-4-N-(4-methylpentyl)quinazoline-2,4-diamine
CID 80831170
4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylquinazolin-2-amine
CID 80869207

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine?
The IUPAC name of N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine (CID 80873489) is N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine?
The canonical SMILES for N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine is CCNc1nc(Sc2ccccc2F)c2ccccc2n1.
What is the InChIKey of N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine?
The InChIKey is AJIVMPDEWZWNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3S/c1-2-18-16-19-13-9-5-3-7-11(13)15(20-16)21-14-10-6-4-8-12(14)17/h3-10H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-4-(2-fluorophenyl)sulfanylquinazolin-2-amine?
N-ethyl-4-(2-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-(2-fluorophenyl)sulfanylquinazolin-2-amine is sourced from PubChem (CID 80873489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).