1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone

C15H17FN4O2 — CID 56816161

IUPAC1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C15H17FN4O2/c1-22-9-13(21)19-5-7-20(8-6-19)15-14-11(16)3-2-4-12(14)17-10-18-15/h2-4,10H,5-9H2,1H3
InChIKeyQZNRLAMWLOOEGW-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.06
Rot. Bonds3

About 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone

1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 56816161) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID56816161
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ncnc3cccc(F)c23)CC1
InChIInChI=1S/C15H17FN4O2/c1-22-9-13(21)19-5-7-20(8-6-19)15-14-11(16)3-2-4-12(14)17-10-18-15/h2-4,10H,5-9H2,1H3
InChIKeyQZNRLAMWLOOEGW-UHFFFAOYSA-N
XLogP1.06
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone (CID 56816161) is 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2ncnc3cccc(F)c23)CC1.
What is the InChIKey of 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is QZNRLAMWLOOEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-22-9-13(21)19-5-7-20(8-6-19)15-14-11(16)3-2-4-12(14)17-10-18-15/h2-4,10H,5-9H2,1H3.
What are the key properties of 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 304.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 56816161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).