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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Related Compounds

4-[2-(Furan-2-yl)-4-(propan-2-ylamino)quinazolin-6-yl]-2-methylbut-3-en-2-ol
CID 57339806
N2-(4-Fluorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2908985
Antimalarial agent 13
CID 1285085
CID 2910633
CID 2910633
N-[(Furan-2-Yl)methyl]-2-Phenylquinazolin-4-Amine
CID 719250
2-Chloro-N-[(furan-2-yl)methyl]quinazolin-4-amine
CID 1599048
2-[(2-cyclohexylquinazolin-4-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 1465905
N~4~-(2-furylmethyl)-N~2~-(2-methylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2908311
CID 2952918
CID 2952918
1-(3-{[4-(2-Furyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio}propanoyl)-1,2,3,4-tetrahydroquinoline
CID 1164778
N2-(4-Chlorophenyl)-N4-(furan-2-ylmethyl)quinazoline-2,4-diamine hydrochloride
CID 2910602
N4-(furan-2-ylmethyl)-N2-(2-methoxyphenyl)quinazoline-2,4-diamine hydrochloride
CID 16682278

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).