2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine

C23H20FN3S — CID 3289360

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
SMILESFc1cccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C23H20FN3S/c24-19-10-6-9-18(15-19)16-28-23-26-21-12-5-4-11-20(21)22(27-23)25-14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,25,26,27)
InChIKeyWLFRVXLAIKTVII-UHFFFAOYSA-N
MW389.50 g/mol
LogP5.72
Rot. Bonds7

About 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine

2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine (PubChem CID 3289360) has the molecular formula C23H20FN3S and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
PubChem CID3289360
Molecular FormulaC23H20FN3S
Molecular Weight389.50 g/mol
Exact Mass389.14
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine
SMILESFc1cccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)c1
InChIInChI=1S/C23H20FN3S/c24-19-10-6-9-18(15-19)16-28-23-26-21-12-5-4-11-20(21)22(27-23)25-14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,25,26,27)
InChIKeyWLFRVXLAIKTVII-UHFFFAOYSA-N
XLogP5.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[(3-chlorophenyl)methylsulfanyl]quinazolin-4-amine
CID 3631316
2-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 69221519
2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 40766769
2-N-[2-(3-fluorophenyl)ethyl]-4-N-[2-(1H-imidazol-5-yl)ethyl]quinazoline-2,4-diamine
CID 156820997
N-[(3-fluorophenyl)methyl]-2-methylquinazolin-4-amine
CID 69221219
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine
CID 119103715
N-(3-methoxypropyl)-2-[4-(2-phenylethylamino)quinazolin-2-yl]sulfanylacetamide
CID 3630954
N-[3-(trifluoromethyl)phenyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]quinazolin-4-amine
CID 155538501
2-[(E)-2-phenylethenyl]-N-(2-phenylethyl)quinazolin-4-amine
CID 5350492
N-[2-(3-fluorophenyl)ethyl]quinolin-2-amine
CID 43400469
3-[(3-fluorophenyl)methylsulfanyl]-5-(2-phenylethyl)-[1,2,4]triazino[5,6-b]indole
CID 6417094
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine (CID 3289360) is 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine is Fc1cccc(CSc2nc(NCCc3ccccc3)c3ccccc3n2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine?
The InChIKey is WLFRVXLAIKTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3S/c24-19-10-6-9-18(15-19)16-28-23-26-21-12-5-4-11-20(21)22(27-23)25-14-13-17-7-2-1-3-8-17/h1-12,15H,13-14,16H2,(H,25,26,27).
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine?
2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine has a molecular weight of 389.50 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-N-(2-phenylethyl)quinazolin-4-amine is sourced from PubChem (CID 3289360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).