3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol

C25H17FN4O — CID 71181200

IUPAC3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3cccnc3)nc3cc(-c4ccc(F)cc4)ccc23)c1
InChIInChI=1S/C25H17FN4O/c26-19-9-6-16(7-10-19)17-8-11-22-23(13-17)29-24(18-3-2-12-27-15-18)30-25(22)28-20-4-1-5-21(31)14-20/h1-15,31H,(H,28,29,30)
InChIKeyPEEDPVJJKSKOLI-UHFFFAOYSA-N
MW408.44 g/mol
LogP5.95
Rot. Bonds4

About 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol

3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol (PubChem CID 71181200) has the molecular formula C25H17FN4O and a molecular weight of 408.44 g/mol. Its IUPAC name is 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol
PubChem CID71181200
Molecular FormulaC25H17FN4O
Molecular Weight408.44 g/mol
Exact Mass408.14
IUPAC Name3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol
SMILESOc1cccc(Nc2nc(-c3cccnc3)nc3cc(-c4ccc(F)cc4)ccc23)c1
InChIInChI=1S/C25H17FN4O/c26-19-9-6-16(7-10-19)17-8-11-22-23(13-17)29-24(18-3-2-12-27-15-18)30-25(22)28-20-4-1-5-21(31)14-20/h1-15,31H,(H,28,29,30)
InChIKeyPEEDPVJJKSKOLI-UHFFFAOYSA-N
XLogP5.95
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol?
The IUPAC name of 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol (CID 71181200) is 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol?
The canonical SMILES for 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol is Oc1cccc(Nc2nc(-c3cccnc3)nc3cc(-c4ccc(F)cc4)ccc23)c1.
What is the InChIKey of 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol?
The InChIKey is PEEDPVJJKSKOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17FN4O/c26-19-9-6-16(7-10-19)17-8-11-22-23(13-17)29-24(18-3-2-12-27-15-18)30-25(22)28-20-4-1-5-21(31)14-20/h1-15,31H,(H,28,29,30).
What are the key properties of 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol?
3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol has a molecular weight of 408.44 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-(4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]phenol is sourced from PubChem (CID 71181200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).