7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine

C15H11F2N3O — CID 65434083

IUPAC7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(F)c1-c1nc(N)c2ccc(F)cc2n1
InChIInChI=1S/C15H11F2N3O/c1-21-12-4-2-3-10(17)13(12)15-19-11-7-8(16)5-6-9(11)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyPXYVLJLPKIUSOS-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.17
Rot. Bonds2

About 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine

7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine (PubChem CID 65434083) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine.

Molecular Properties

Compound Name7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine
PubChem CID65434083
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine
SMILESCOc1cccc(F)c1-c1nc(N)c2ccc(F)cc2n1
InChIInChI=1S/C15H11F2N3O/c1-21-12-4-2-3-10(17)13(12)15-19-11-7-8(16)5-6-9(11)14(18)20-15/h2-7H,1H3,(H2,18,19,20)
InChIKeyPXYVLJLPKIUSOS-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine?
The IUPAC name of 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine (CID 65434083) is 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine.
What is the SMILES notation for 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine?
The canonical SMILES for 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine is COc1cccc(F)c1-c1nc(N)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine?
The InChIKey is PXYVLJLPKIUSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c1-21-12-4-2-3-10(17)13(12)15-19-11-7-8(16)5-6-9(11)14(18)20-15/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine?
7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine has a molecular weight of 287.27 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(2-fluoro-6-methoxyphenyl)quinazolin-4-amine is sourced from PubChem (CID 65434083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).