8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one

C25H23FN4O2 — CID 155520787

IUPAC8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one
SMILESCN1CCN(c2nc3c(F)cccc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H23FN4O2/c1-28-14-16-29(17-15-28)25-27-23-21(8-5-9-22(23)26)24(31)30(25)18-10-12-20(13-11-18)32-19-6-3-2-4-7-19/h2-13H,14-17H2,1H3
InChIKeyTZWWHUJKOSJSRB-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.07
Rot. Bonds4

About 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one

8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one (PubChem CID 155520787) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one
PubChem CID155520787
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one
SMILESCN1CCN(c2nc3c(F)cccc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)CC1
InChIInChI=1S/C25H23FN4O2/c1-28-14-16-29(17-15-28)25-27-23-21(8-5-9-22(23)26)24(31)30(25)18-10-12-20(13-11-18)32-19-6-3-2-4-7-19/h2-13H,14-17H2,1H3
InChIKeyTZWWHUJKOSJSRB-UHFFFAOYSA-N
XLogP4.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one?
The IUPAC name of 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one (CID 155520787) is 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one?
The canonical SMILES for 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one is CN1CCN(c2nc3c(F)cccc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)CC1.
What is the InChIKey of 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one?
The InChIKey is TZWWHUJKOSJSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c1-28-14-16-29(17-15-28)25-27-23-21(8-5-9-22(23)26)24(31)30(25)18-10-12-20(13-11-18)32-19-6-3-2-4-7-19/h2-13H,14-17H2,1H3.
What are the key properties of 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one?
8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one has a molecular weight of 430.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 155520787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).