6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine

C14H9F2N3 — CID 64983813

IUPAC6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2ccc(F)cc12
InChIInChI=1S/C14H9F2N3/c15-9-3-1-2-8(6-9)14-18-12-5-4-10(16)7-11(12)13(17)19-14/h1-7H,(H2,17,18,19)
InChIKeyZNTJLBVQSCFBDZ-UHFFFAOYSA-N
MW257.24 g/mol
LogP3.16
Rot. Bonds1

About 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine

6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine (PubChem CID 64983813) has the molecular formula C14H9F2N3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
PubChem CID64983813
Molecular FormulaC14H9F2N3
Molecular Weight257.24 g/mol
Exact Mass257.08
IUPAC Name6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine
SMILESNc1nc(-c2cccc(F)c2)nc2ccc(F)cc12
InChIInChI=1S/C14H9F2N3/c15-9-3-1-2-8(6-9)14-18-12-5-4-10(16)7-11(12)13(17)19-14/h1-7H,(H2,17,18,19)
InChIKeyZNTJLBVQSCFBDZ-UHFFFAOYSA-N
XLogP3.16
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
The IUPAC name of 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine (CID 64983813) is 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
The canonical SMILES for 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine is Nc1nc(-c2cccc(F)c2)nc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
The InChIKey is ZNTJLBVQSCFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3/c15-9-3-1-2-8(6-9)14-18-12-5-4-10(16)7-11(12)13(17)19-14/h1-7H,(H2,17,18,19).
What are the key properties of 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine?
6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine has a molecular weight of 257.24 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3-fluorophenyl)quinazolin-4-amine is sourced from PubChem (CID 64983813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).