2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride

C18H19ClFN5 — CID 52995833

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCN(c3ccccc3F)CC2)nc2ccccc12
InChIInChI=1S/C18H18FN5.ClH/c19-14-6-2-4-8-16(14)23-9-11-24(12-10-23)18-21-15-7-3-1-5-13(15)17(20)22-18;/h1-8H,9-12H2,(H2,20,21,22);1H
InChIKeyNOVLLTFEOSHXLX-UHFFFAOYSA-N
MW359.84 g/mol
LogP3.10
Rot. Bonds2

About 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride

2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride (PubChem CID 52995833) has the molecular formula C18H19ClFN5 and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
PubChem CID52995833
Molecular FormulaC18H19ClFN5
Molecular Weight359.84 g/mol
Exact Mass359.13
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCN(c3ccccc3F)CC2)nc2ccccc12
InChIInChI=1S/C18H18FN5.ClH/c19-14-6-2-4-8-16(14)23-9-11-24(12-10-23)18-21-15-7-3-1-5-13(15)17(20)22-18;/h1-8H,9-12H2,(H2,20,21,22);1H
InChIKeyNOVLLTFEOSHXLX-UHFFFAOYSA-N
XLogP3.10
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
CID 52995741
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
2-thiomorpholin-4-ylquinazolin-4-amine
CID 123991658
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80775135
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-amine
CID 115978112
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 136531944
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidin-4-yl]-2,3-dihydroindole
CID 112898508
2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)quinazolin-4-amine
CID 175883645

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride (CID 52995833) is 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride is Cl.Nc1nc(N2CCN(c3ccccc3F)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride?
The InChIKey is NOVLLTFEOSHXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5.ClH/c19-14-6-2-4-8-16(14)23-9-11-24(12-10-23)18-21-15-7-3-1-5-13(15)17(20)22-18;/h1-8H,9-12H2,(H2,20,21,22);1H.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride?
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride has a molecular weight of 359.84 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 52995833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).