5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol

C20H15FN4O — CID 118448002

IUPAC5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C20H15FN4O/c1-11-7-16(21)18(26)9-14(11)19-13(3-2-6-23-19)12-4-5-17-15(8-12)20(22)25-10-24-17/h2-10,26H,1H3,(H2,22,24,25)
InChIKeyNOKYLDPBJAYSMZ-UHFFFAOYSA-N
MW346.37 g/mol
LogP4.09
Rot. Bonds2

About 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol

5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol (PubChem CID 118448002) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol.

Molecular Properties

Compound Name5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol
PubChem CID118448002
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1
InChIInChI=1S/C20H15FN4O/c1-11-7-16(21)18(26)9-14(11)19-13(3-2-6-23-19)12-4-5-17-15(8-12)20(22)25-10-24-17/h2-10,26H,1H3,(H2,22,24,25)
InChIKeyNOKYLDPBJAYSMZ-UHFFFAOYSA-N
XLogP4.09
TPSA84.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 54.09
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-fluoro-4-methylphenol?
The IUPAC name of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol (CID 118448002) is 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol.
What is the SMILES notation for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol?
The canonical SMILES for 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol is Cc1cc(F)c(O)cc1-c1ncccc1-c1ccc2ncnc(N)c2c1.
What is the InChIKey of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol?
The InChIKey is NOKYLDPBJAYSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c1-11-7-16(21)18(26)9-14(11)19-13(3-2-6-23-19)12-4-5-17-15(8-12)20(22)25-10-24-17/h2-10,26H,1H3,(H2,22,24,25).
What are the key properties of 5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol?
5-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-2-fluoro-4-methylphenol has a molecular weight of 346.37 g/mol, XLogP of 4.09, 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-fluoro-4-methylphenol is sourced from PubChem (CID 118448002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).