N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

C31H36N6 — CID 155544579

IUPACN-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
SMILESc1ccc(CCN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C31H36N6/c1-3-9-25(10-4-1)15-18-35-19-16-26(17-20-35)32-30-28-13-7-8-14-29(28)33-31(34-30)37-23-21-36(22-24-37)27-11-5-2-6-12-27/h1-14,26H,15-24H2,(H,32,33,34)
InChIKeyQPXRSKXWEOTASN-UHFFFAOYSA-N
MW492.67 g/mol
LogP5.08
Rot. Bonds7

About N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine

N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine (PubChem CID 155544579) has the molecular formula C31H36N6 and a molecular weight of 492.67 g/mol. Its IUPAC name is N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
PubChem CID155544579
Molecular FormulaC31H36N6
Molecular Weight492.67 g/mol
Exact Mass492.30
IUPAC NameN-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine
SMILESc1ccc(CCN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C31H36N6/c1-3-9-25(10-4-1)15-18-35-19-16-26(17-20-35)32-30-28-13-7-8-14-29(28)33-31(34-30)37-23-21-36(22-24-37)27-11-5-2-6-12-27/h1-14,26H,15-24H2,(H,32,33,34)
InChIKeyQPXRSKXWEOTASN-UHFFFAOYSA-N
XLogP5.08
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.67
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The IUPAC name of N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine (CID 155544579) is N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine.
What is the SMILES notation for N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The canonical SMILES for N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine is c1ccc(CCN2CCC(Nc3nc(N4CCN(c5ccccc5)CC4)nc4ccccc34)CC2)cc1.
What is the InChIKey of N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
The InChIKey is QPXRSKXWEOTASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6/c1-3-9-25(10-4-1)15-18-35-19-16-26(17-20-35)32-30-28-13-7-8-14-29(28)33-31(34-30)37-23-21-36(22-24-37)27-11-5-2-6-12-27/h1-14,26H,15-24H2,(H,32,33,34).
What are the key properties of N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine?
N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine has a molecular weight of 492.67 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylethyl)piperidin-4-yl]-2-(4-phenylpiperazin-1-yl)quinazolin-4-amine is sourced from PubChem (CID 155544579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).