N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine

C20H15FN4S — CID 119103715

IUPACN-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(SCc3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15FN4S/c21-15-5-7-16(8-6-15)23-19-17-3-1-2-4-18(17)24-20(25-19)26-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,24,25)
InChIKeyQHSAWDKVUUVWBO-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.20
Rot. Bonds5

About N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine

N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine (PubChem CID 119103715) has the molecular formula C20H15FN4S and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine
PubChem CID119103715
Molecular FormulaC20H15FN4S
Molecular Weight362.43 g/mol
Exact Mass362.10
IUPAC NameN-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine
SMILESFc1ccc(Nc2nc(SCc3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C20H15FN4S/c21-15-5-7-16(8-6-15)23-19-17-3-1-2-4-18(17)24-20(25-19)26-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,24,25)
InChIKeyQHSAWDKVUUVWBO-UHFFFAOYSA-N
XLogP5.20
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine (CID 119103715) is N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine is Fc1ccc(Nc2nc(SCc3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine?
The InChIKey is QHSAWDKVUUVWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4S/c21-15-5-7-16(8-6-15)23-19-17-3-1-2-4-18(17)24-20(25-19)26-13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,24,25).
What are the key properties of N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine?
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine has a molecular weight of 362.43 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(pyridin-4-ylmethylsulfanyl)quinazolin-4-amine is sourced from PubChem (CID 119103715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).