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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Related Compounds

2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 56816091
[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56816106
2-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60520975
ethyl 5-[4-(5-fluoroquinazolin-4-yl)piperazin-1-yl]sulfonylfuran-2-carboxylate
CID 55854470
1-[4-[5-(2-fluorophenyl)-2-pyridinyl]piperazin-1-yl]-2-methoxyethanone
CID 141044306
4-(4-benzylsulfonylpiperazin-1-yl)-5-fluoroquinazoline
CID 60520728
4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-5-fluoroquinazoline
CID 55855492
5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
2-methoxy-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343340
2-methoxy-N-[[2-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]methyl]acetamide
CID 71876650
2-(2-fluorophenoxy)-1-[4-[7-(2-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 16646938

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).