5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one

C14H17FN4O — CID 46991175

IUPAC5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one
SMILESO=c1c2c(F)cccc2ncn1CCN1CCNCC1
InChIInChI=1S/C14H17FN4O/c15-11-2-1-3-12-13(11)14(20)19(10-17-12)9-8-18-6-4-16-5-7-18/h1-3,10,16H,4-9H2
InChIKeyCUFYXCVUUFVSKX-UHFFFAOYSA-N
MW276.31 g/mol
LogP0.44
Rot. Bonds3

About 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one

5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one (PubChem CID 46991175) has the molecular formula C14H17FN4O and a molecular weight of 276.31 g/mol. Its IUPAC name is 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one
PubChem CID46991175
Molecular FormulaC14H17FN4O
Molecular Weight276.31 g/mol
Exact Mass276.14
IUPAC Name5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one
SMILESO=c1c2c(F)cccc2ncn1CCN1CCNCC1
InChIInChI=1S/C14H17FN4O/c15-11-2-1-3-12-13(11)14(20)19(10-17-12)9-8-18-6-4-16-5-7-18/h1-3,10,16H,4-9H2
InChIKeyCUFYXCVUUFVSKX-UHFFFAOYSA-N
XLogP0.44
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one (CID 46991175) is 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one is O=c1c2c(F)cccc2ncn1CCN1CCNCC1.
What is the InChIKey of 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one?
The InChIKey is CUFYXCVUUFVSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c15-11-2-1-3-12-13(11)14(20)19(10-17-12)9-8-18-6-4-16-5-7-18/h1-3,10,16H,4-9H2.
What are the key properties of 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one?
5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one has a molecular weight of 276.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(2-piperazin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 46991175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).