3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile

C15H9FN4 — CID 46879811

IUPAC3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
InChIInChI=1S/C15H9FN4/c16-11-4-5-14-13(7-11)15(19-9-18-14)20-12-3-1-2-10(6-12)8-17/h1-7,9H,(H,18,19,20)
InChIKeyNWRSWZMZACUZPY-UHFFFAOYSA-N
MW264.26 g/mol
LogP3.38
Rot. Bonds2

About 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile

3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile (PubChem CID 46879811) has the molecular formula C15H9FN4 and a molecular weight of 264.26 g/mol. Its IUPAC name is 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile.

Molecular Properties

Compound Name3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
PubChem CID46879811
Molecular FormulaC15H9FN4
Molecular Weight264.26 g/mol
Exact Mass264.08
IUPAC Name3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile
SMILESN#Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
InChIInChI=1S/C15H9FN4/c16-11-4-5-14-13(7-11)15(19-9-18-14)20-12-3-1-2-10(6-12)8-17/h1-7,9H,(H,18,19,20)
InChIKeyNWRSWZMZACUZPY-UHFFFAOYSA-N
XLogP3.38
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile?
The IUPAC name of 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile (CID 46879811) is 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile.
What is the SMILES notation for 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile?
The canonical SMILES for 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile is N#Cc1cccc(Nc2ncnc3ccc(F)cc23)c1.
What is the InChIKey of 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile?
The InChIKey is NWRSWZMZACUZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN4/c16-11-4-5-14-13(7-11)15(19-9-18-14)20-12-3-1-2-10(6-12)8-17/h1-7,9H,(H,18,19,20).
What are the key properties of 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile?
3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile has a molecular weight of 264.26 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoroquinazolin-4-yl)amino]benzonitrile is sourced from PubChem (CID 46879811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).