4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline

C24H21FN4 — CID 141288937

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
SMILESFc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H21FN4/c25-19-10-12-20(13-11-19)28-14-16-29(17-15-28)24-21-8-4-5-9-22(21)26-23(27-24)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeySVICKUKVNGSPLL-UHFFFAOYSA-N
MW384.46 g/mol
LogP4.76
Rot. Bonds3

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

4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline (PubChem CID 141288937) has the molecular formula C24H21FN4 and a molecular weight of 384.46 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
PubChem CID141288937
Molecular FormulaC24H21FN4
Molecular Weight384.46 g/mol
Exact Mass384.18
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline
SMILESFc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C24H21FN4/c25-19-10-12-20(13-11-19)28-14-16-29(17-15-28)24-21-8-4-5-9-22(21)26-23(27-24)18-6-2-1-3-7-18/h1-13H,14-17H2
InChIKeySVICKUKVNGSPLL-UHFFFAOYSA-N
XLogP4.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(4-nitrophenyl)piperazin-1-yl]-2-phenylquinazoline
CID 71454922
4-[4-(4-fluorophenyl)piperazin-1-yl]quinazoline-2-carboxylic acid
CID 50852162
6-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1235469
4-(4-benzylpiperazin-1-yl)-2-phenylquinazoline
CID 1191881
4-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)quinazoline
CID 4110916
2-pyridin-4-yl-4-pyrrolidin-1-ylquinazoline
CID 659763
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)quinazoline
CID 155805514
4-piperidin-1-yl-2-pyridin-4-ylquinazoline
CID 820815
1-[4-[2-(4-chlorophenyl)quinazolin-4-yl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 24720194
4-[4-(bromomethylsulfonyl)piperazin-1-yl]-2-phenylquinazoline
CID 154752797
2-[4-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-2-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 22579321
4-piperidin-1-yl-2-[4-(trifluoromethyl)phenyl]quinazoline
CID 25129008

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline (CID 141288937) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline is Fc1ccc(N2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline?
The InChIKey is SVICKUKVNGSPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4/c25-19-10-12-20(13-11-19)28-14-16-29(17-15-28)24-21-8-4-5-9-22(21)26-23(27-24)18-6-2-1-3-7-18/h1-13H,14-17H2.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline?
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline has a molecular weight of 384.46 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-2-phenylquinazoline is sourced from PubChem (CID 141288937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).