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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Related Compounds

3-[3-(4-Methylpiperazin-1-yl)-7-(trifluoromethyl)quinoxalin-5-yl]phenol
CID 25113181
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
Dibenzo[c,f][2,7]naphthyridine, 12
CID 17754398
8-[[6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl]amino]naphthalen-2-ol
CID 11951911
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
4-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330925
3-[4-(Tert-butylamino)-2-(trifluoromethyl)quinazolin-6-yl]phenol
CID 5330927
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
4-[2-amino-8-[[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166626454
4-[2-amino-8-[[(3S)-1-methylpiperidin-3-yl]amino]quinazolin-6-yl]-5-ethyl-2-fluorophenol
CID 166633169
2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl-amino)-quinazolin-6-ol
CID 11740120

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).