5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine

C14H11F2N3 — CID 11139807

IUPAC5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2ccc(F)cc2)Nc2cccc(F)c21
InChIInChI=1S/C14H11F2N3/c15-9-6-4-8(5-7-9)14-18-11-3-1-2-10(16)12(11)13(17)19-14/h1-7,14,18H,(H2,17,19)
InChIKeyAKOSZLBIPKPADG-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.79
Rot. Bonds1

About 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine

5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine (PubChem CID 11139807) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine
PubChem CID11139807
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine
SMILESNC1=NC(c2ccc(F)cc2)Nc2cccc(F)c21
InChIInChI=1S/C14H11F2N3/c15-9-6-4-8(5-7-9)14-18-11-3-1-2-10(16)12(11)13(17)19-14/h1-7,14,18H,(H2,17,19)
InChIKeyAKOSZLBIPKPADG-UHFFFAOYSA-N
XLogP2.79
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine?
The IUPAC name of 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine (CID 11139807) is 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine?
The canonical SMILES for 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine is NC1=NC(c2ccc(F)cc2)Nc2cccc(F)c21.
What is the InChIKey of 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine?
The InChIKey is AKOSZLBIPKPADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-9-6-4-8(5-7-9)14-18-11-3-1-2-10(16)12(11)13(17)19-14/h1-7,14,18H,(H2,17,19).
What are the key properties of 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine?
5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine has a molecular weight of 259.26 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-amine is sourced from PubChem (CID 11139807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).