2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol

C16H15FN4O — CID 2142797

IUPAC2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H15FN4O/c17-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(21-16)18-9-10-22/h1-8,22H,9-10H2,(H2,18,19,20,21)
InChIKeyFPRDDAFBRAJVTG-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.92
Rot. Bonds5

About 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol

2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol (PubChem CID 2142797) has the molecular formula C16H15FN4O and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol
PubChem CID2142797
Molecular FormulaC16H15FN4O
Molecular Weight298.32 g/mol
Exact Mass298.12
IUPAC Name2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol
SMILESOCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12
InChIInChI=1S/C16H15FN4O/c17-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(21-16)18-9-10-22/h1-8,22H,9-10H2,(H2,18,19,20,21)
InChIKeyFPRDDAFBRAJVTG-UHFFFAOYSA-N
XLogP2.92
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol (CID 2142797) is 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol is OCCNc1nc(Nc2ccc(F)cc2)nc2ccccc12.
What is the InChIKey of 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol?
The InChIKey is FPRDDAFBRAJVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O/c17-11-5-7-12(8-6-11)19-16-20-14-4-2-1-3-13(14)15(21-16)18-9-10-22/h1-8,22H,9-10H2,(H2,18,19,20,21).
What are the key properties of 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol?
2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol has a molecular weight of 298.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluoroanilino)quinazolin-4-yl]amino]ethanol is sourced from PubChem (CID 2142797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).