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

C20H14FN3O — CID 2174842

IUPAC4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1
InChIInChI=1S/C20H14FN3O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(24-19)22-13-9-11-14(25)12-10-13/h1-12,25H,(H,22,23,24)
InChIKeyMLYMYTBJWXGOSC-UHFFFAOYSA-N
MW331.35 g/mol
LogP4.89
Rot. Bonds3

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

4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol (PubChem CID 2174842) has the molecular formula C20H14FN3O and a molecular weight of 331.35 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol
PubChem CID2174842
Molecular FormulaC20H14FN3O
Molecular Weight331.35 g/mol
Exact Mass331.11
IUPAC Name4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol
SMILESOc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1
InChIInChI=1S/C20H14FN3O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(24-19)22-13-9-11-14(25)12-10-13/h1-12,25H,(H,22,23,24)
InChIKeyMLYMYTBJWXGOSC-UHFFFAOYSA-N
XLogP4.89
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol?
The IUPAC name of 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol (CID 2174842) is 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol?
The canonical SMILES for 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol is Oc1ccc(Nc2nc(-c3ccccc3F)nc3ccccc23)cc1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol?
The InChIKey is MLYMYTBJWXGOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O/c21-17-7-3-1-5-15(17)19-23-18-8-4-2-6-16(18)20(24-19)22-13-9-11-14(25)12-10-13/h1-12,25H,(H,22,23,24).
What are the key properties of 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol?
4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol has a molecular weight of 331.35 g/mol, XLogP of 4.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)quinazolin-4-yl]amino]phenol is sourced from PubChem (CID 2174842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).