4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol

C26H17F2N3O — CID 164611944

IUPAC4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol
SMILESOc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1
InChIInChI=1S/C26H17F2N3O/c27-18-4-8-23(28)22(14-18)26-15-19(9-11-29-26)31-24-10-12-30-25-13-17(3-7-21(24)25)16-1-5-20(32)6-2-16/h1-15,32H,(H,29,30,31)
InChIKeyLZXQSGOKGXBVLB-UHFFFAOYSA-N
MW425.44 g/mol
LogP6.69
Rot. Bonds4

About 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol

4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol (PubChem CID 164611944) has the molecular formula C26H17F2N3O and a molecular weight of 425.44 g/mol. Its IUPAC name is 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol.

Molecular Properties

Compound Name4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol
PubChem CID164611944
Molecular FormulaC26H17F2N3O
Molecular Weight425.44 g/mol
Exact Mass425.13
IUPAC Name4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol
SMILESOc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1
InChIInChI=1S/C26H17F2N3O/c27-18-4-8-23(28)22(14-18)26-15-19(9-11-29-26)31-24-10-12-30-25-13-17(3-7-21(24)25)16-1-5-20(32)6-2-16/h1-15,32H,(H,29,30,31)
InChIKeyLZXQSGOKGXBVLB-UHFFFAOYSA-N
XLogP6.69
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.44
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol?
The IUPAC name of 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol (CID 164611944) is 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol.
What is the SMILES notation for 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol?
The canonical SMILES for 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol is Oc1ccc(-c2ccc3c(Nc4ccnc(-c5cc(F)ccc5F)c4)ccnc3c2)cc1.
What is the InChIKey of 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol?
The InChIKey is LZXQSGOKGXBVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F2N3O/c27-18-4-8-23(28)22(14-18)26-15-19(9-11-29-26)31-24-10-12-30-25-13-17(3-7-21(24)25)16-1-5-20(32)6-2-16/h1-15,32H,(H,29,30,31).
What are the key properties of 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol?
4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol has a molecular weight of 425.44 g/mol, XLogP of 6.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(2,5-difluorophenyl)-4-pyridinyl]amino]quinolin-7-yl]phenol is sourced from PubChem (CID 164611944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).