2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

C18H20ClN5 — CID 52995741

IUPAC2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C18H19N5.ClH/c19-17-15-8-4-5-9-16(15)20-18(21-17)23-12-10-22(11-13-23)14-6-2-1-3-7-14;/h1-9H,10-13H2,(H2,19,20,21);1H
InChIKeySRLCDIUBMILQNR-UHFFFAOYSA-N
MW341.85 g/mol
LogP2.96
Rot. Bonds2

About 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride

2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (PubChem CID 52995741) has the molecular formula C18H20ClN5 and a molecular weight of 341.85 g/mol. Its IUPAC name is 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
PubChem CID52995741
Molecular FormulaC18H20ClN5
Molecular Weight341.85 g/mol
Exact Mass341.14
IUPAC Name2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12
InChIInChI=1S/C18H19N5.ClH/c19-17-15-8-4-5-9-16(15)20-18(21-17)23-12-10-22(11-13-23)14-6-2-1-3-7-14;/h1-9H,10-13H2,(H2,19,20,21);1H
InChIKeySRLCDIUBMILQNR-UHFFFAOYSA-N
XLogP2.96
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.85
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-thiomorpholin-4-ylquinazolin-4-amine
CID 123991658
2-[4-(2-fluorophenyl)piperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 52995833
2-(4-pyridin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 4907991
2-[4-(4-propan-2-ylpyrimidin-2-yl)piperazin-1-yl]quinazolin-4-amine
CID 136531944
2-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)quinazolin-4-amine
CID 154806379
2,4-dichloro-6-(4-phenylpiperazin-1-yl)-1,3,5-triazine
CID 62859583
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
CID 133454441
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
2-(1-oxo-3,5-dihydro-2H-1λ4,4-benzothiazepin-4-yl)quinazolin-4-amine
CID 175883645
2-(6-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-amine
CID 133422406
2-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]quinazolin-4-amine
CID 154857857

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The IUPAC name of 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride (CID 52995741) is 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is Cl.Nc1nc(N2CCN(c3ccccc3)CC2)nc2ccccc12.
What is the InChIKey of 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
The InChIKey is SRLCDIUBMILQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5.ClH/c19-17-15-8-4-5-9-16(15)20-18(21-17)23-12-10-22(11-13-23)14-6-2-1-3-7-14;/h1-9H,10-13H2,(H2,19,20,21);1H.
What are the key properties of 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride?
2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride has a molecular weight of 341.85 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpiperazin-1-yl)quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 52995741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).