3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol

C20H13F2N3O — CID 53329929

IUPAC3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1
InChIInChI=1S/C20H13F2N3O/c21-13-4-1-3-12(9-13)19-24-18-8-7-14(22)10-17(18)20(25-19)23-15-5-2-6-16(26)11-15/h1-11,26H,(H,23,24,25)
InChIKeyRGCNNZXIHOUMOQ-UHFFFAOYSA-N
MW349.34 g/mol
LogP5.02
Rot. Bonds3

About 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol

3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol (PubChem CID 53329929) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol
PubChem CID53329929
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1
InChIInChI=1S/C20H13F2N3O/c21-13-4-1-3-12(9-13)19-24-18-8-7-14(22)10-17(18)20(25-19)23-15-5-2-6-16(26)11-15/h1-11,26H,(H,23,24,25)
InChIKeyRGCNNZXIHOUMOQ-UHFFFAOYSA-N
XLogP5.02
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.34
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol (CID 53329929) is 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol is Oc1cccc(Nc2nc(-c3cccc(F)c3)nc3ccc(F)cc23)c1.
What is the InChIKey of 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol?
The InChIKey is RGCNNZXIHOUMOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c21-13-4-1-3-12(9-13)19-24-18-8-7-14(22)10-17(18)20(25-19)23-15-5-2-6-16(26)11-15/h1-11,26H,(H,23,24,25).
What are the key properties of 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol?
3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol has a molecular weight of 349.34 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-fluoro-2-(3-fluorophenyl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 53329929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).