5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol

C19H12F2N4O — CID 118437843

IUPAC5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(O)c(F)cc3F)cc12
InChIInChI=1S/C19H12F2N4O/c20-14-8-15(21)17(26)7-12(14)18-11(2-1-5-23-18)10-3-4-16-13(6-10)19(22)25-9-24-16/h1-9,26H,(H2,22,24,25)
InChIKeyWJYGAXDPRXMPSZ-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.92
Rot. Bonds2

About 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol

5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol (PubChem CID 118437843) has the molecular formula C19H12F2N4O and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol.

Molecular Properties

Compound Name5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol
PubChem CID118437843
Molecular FormulaC19H12F2N4O
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC Name5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol
SMILESNc1ncnc2ccc(-c3cccnc3-c3cc(O)c(F)cc3F)cc12
InChIInChI=1S/C19H12F2N4O/c20-14-8-15(21)17(26)7-12(14)18-11(2-1-5-23-18)10-3-4-16-13(6-10)19(22)25-9-24-16/h1-9,26H,(H2,22,24,25)
InChIKeyWJYGAXDPRXMPSZ-UHFFFAOYSA-N
XLogP3.92
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol?
The IUPAC name of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol (CID 118437843) is 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol.
What is the SMILES notation for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol?
The canonical SMILES for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol is Nc1ncnc2ccc(-c3cccnc3-c3cc(O)c(F)cc3F)cc12.
What is the InChIKey of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol?
The InChIKey is WJYGAXDPRXMPSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O/c20-14-8-15(21)17(26)7-12(14)18-11(2-1-5-23-18)10-3-4-16-13(6-10)19(22)25-9-24-16/h1-9,26H,(H2,22,24,25).
What are the key properties of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol?
5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol has a molecular weight of 350.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2,4-difluorophenol is sourced from PubChem (CID 118437843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).