3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one

C19H19FN4O — CID 71563914

IUPAC3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(N2CCNCC2)n1Cc1ccccc1F
InChIInChI=1S/C19H19FN4O/c20-16-7-3-1-5-14(16)13-24-18(25)15-6-2-4-8-17(15)22-19(24)23-11-9-21-10-12-23/h1-8,21H,9-13H2
InChIKeyYJLKHMYLNXVPCQ-UHFFFAOYSA-N
MW338.39 g/mol
LogP1.99
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one

3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one (PubChem CID 71563914) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one
PubChem CID71563914
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one
SMILESO=c1c2ccccc2nc(N2CCNCC2)n1Cc1ccccc1F
InChIInChI=1S/C19H19FN4O/c20-16-7-3-1-5-14(16)13-24-18(25)15-6-2-4-8-17(15)22-19(24)23-11-9-21-10-12-23/h1-8,21H,9-13H2
InChIKeyYJLKHMYLNXVPCQ-UHFFFAOYSA-N
XLogP1.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-2-pyrrolidin-1-ylquinazolin-4-one
CID 126457829
1-[(2-fluorophenyl)methyl]-3-methyl-7-(3-methylbut-2-enyl)-8-piperazin-1-ylpurine-2,6-dione;methane;2,2,2-trifluoroacetic acid
CID 157191086
3-[(3-fluoro-4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
CID 71802774
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
7-[(2-fluorophenyl)methyl]-8-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-methylpurine-2,6-dione
CID 16618682
3-but-2-ynyl-2-(1,4-diazepan-1-yl)-5-[(4-fluoronaphthalen-1-yl)methyl]imidazo[4,5-d]pyridazin-4-one
CID 21098096
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-methylpiperidine-4-carboxamide
CID 20886895
7-[[2-(difluoromethoxy)phenyl]methyl]-1,3-dimethyl-8-piperazin-1-ylpurine-2,6-dione
CID 10273630
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-one
CID 71802773
7-[(2-fluorophenyl)methyl]-3-methyl-8-[4-(2-phenylethyl)piperazin-1-yl]purine-2,6-dione
CID 16810661
1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 20882851
3-[[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 31584091

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one (CID 71563914) is 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one is O=c1c2ccccc2nc(N2CCNCC2)n1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one?
The InChIKey is YJLKHMYLNXVPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-16-7-3-1-5-14(16)13-24-18(25)15-6-2-4-8-17(15)22-19(24)23-11-9-21-10-12-23/h1-8,21H,9-13H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one?
3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one has a molecular weight of 338.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one is sourced from PubChem (CID 71563914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).