3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol

C20H15FN4O — CID 58329315

IUPAC3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol
SMILESCc1nc(Nc2cccnc2)nc2ccc(-c3cc(O)cc(F)c3)cc12
InChIInChI=1S/C20H15FN4O/c1-12-18-9-13(14-7-15(21)10-17(26)8-14)4-5-19(18)25-20(23-12)24-16-3-2-6-22-11-16/h2-11,26H,1H3,(H,23,24,25)
InChIKeyQRPPSONUCSNPLF-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.59
Rot. Bonds3

About 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol

3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol (PubChem CID 58329315) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol.

Molecular Properties

Compound Name3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol
PubChem CID58329315
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol
SMILESCc1nc(Nc2cccnc2)nc2ccc(-c3cc(O)cc(F)c3)cc12
InChIInChI=1S/C20H15FN4O/c1-12-18-9-13(14-7-15(21)10-17(26)8-14)4-5-19(18)25-20(23-12)24-16-3-2-6-22-11-16/h2-11,26H,1H3,(H,23,24,25)
InChIKeyQRPPSONUCSNPLF-UHFFFAOYSA-N
XLogP4.59
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol?
The IUPAC name of 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol (CID 58329315) is 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol.
What is the SMILES notation for 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol?
The canonical SMILES for 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol is Cc1nc(Nc2cccnc2)nc2ccc(-c3cc(O)cc(F)c3)cc12.
What is the InChIKey of 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol?
The InChIKey is QRPPSONUCSNPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-12-18-9-13(14-7-15(21)10-17(26)8-14)4-5-19(18)25-20(23-12)24-16-3-2-6-22-11-16/h2-11,26H,1H3,(H,23,24,25).
What are the key properties of 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol?
3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol has a molecular weight of 346.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[4-methyl-2-(pyridin-3-ylamino)quinazolin-6-yl]phenol is sourced from PubChem (CID 58329315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).