[4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone

C25H21FN4O — CID 50938882

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H21FN4O/c26-19-10-12-20(13-11-19)29-14-16-30(17-15-29)25(31)23-21-8-4-5-9-22(21)27-24(28-23)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyXYDVQMJCXJAGMC-UHFFFAOYSA-N
MW412.47 g/mol
LogP4.40
Rot. Bonds3

About [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone (PubChem CID 50938882) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone
PubChem CID50938882
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone
SMILESO=C(c1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C25H21FN4O/c26-19-10-12-20(13-11-19)29-14-16-30(17-15-29)25(31)23-21-8-4-5-9-22(21)27-24(28-23)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeyXYDVQMJCXJAGMC-UHFFFAOYSA-N
XLogP4.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Acetylaminoquinazoline-4-carboxyanilide
CID 24749707
2-Benzoylaminoquinazoline-4-carboxyanilide
CID 24749708
2-Aminoquinazoline-4-carboxyanilide
CID 24749831
2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoro-N,N-dimethyl-3-phenylquinoline-4-carboxamide
CID 49872246
2-(4-Methylphenyl)-4-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoline
CID 2093195
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
N-benzyl-N,3-dimethyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide
CID 11222968
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
N,3-dimethyl-2-(4-methylpiperazin-1-yl)-N-prop-2-ynylquinoline-4-carboxamide
CID 11348290
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone (CID 50938882) is [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone is O=C(c1nc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone?
The InChIKey is XYDVQMJCXJAGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c26-19-10-12-20(13-11-19)29-14-16-30(17-15-29)25(31)23-21-8-4-5-9-22(21)27-24(28-23)18-6-2-1-3-7-18/h1-13H,14-17H2.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone has a molecular weight of 412.47 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(2-phenylquinazolin-4-yl)methanone is sourced from PubChem (CID 50938882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).