2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine

C20H16FN3OS — CID 3685285

IUPAC2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccccc1CSc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C20H16FN3OS/c21-17-9-3-1-6-14(17)13-26-20-23-18-10-4-2-8-16(18)19(24-20)22-12-15-7-5-11-25-15/h1-11H,12-13H2,(H,22,23,24)
InChIKeyYPVSWKKEONAWNB-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.27
Rot. Bonds6

About 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine

2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine (PubChem CID 3685285) has the molecular formula C20H16FN3OS and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine
PubChem CID3685285
Molecular FormulaC20H16FN3OS
Molecular Weight365.43 g/mol
Exact Mass365.10
IUPAC Name2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine
SMILESFc1ccccc1CSc1nc(NCc2ccco2)c2ccccc2n1
InChIInChI=1S/C20H16FN3OS/c21-17-9-3-1-6-14(17)13-26-20-23-18-10-4-2-8-16(18)19(24-20)22-12-15-7-5-11-25-15/h1-11H,12-13H2,(H,22,23,24)
InChIKeyYPVSWKKEONAWNB-UHFFFAOYSA-N
XLogP5.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine (CID 3685285) is 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine is Fc1ccccc1CSc1nc(NCc2ccco2)c2ccccc2n1.
What is the InChIKey of 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is YPVSWKKEONAWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3OS/c21-17-9-3-1-6-14(17)13-26-20-23-18-10-4-2-8-16(18)19(24-20)22-12-15-7-5-11-25-15/h1-11H,12-13H2,(H,22,23,24).
What are the key properties of 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine?
2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 365.43 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methylsulfanyl]-N-(furan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3685285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).