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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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).