N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine

C26H33N5 — CID 10740593

IUPACN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine
SMILESc1ccc(N2CCN(CCC3CCC(Nc4ncnc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)
InChIKeyIVCDUDHUOFADMA-UHFFFAOYSA-N
MW415.58 g/mol
LogP4.81
Rot. Bonds6

About N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine

N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine (PubChem CID 10740593) has the molecular formula C26H33N5 and a molecular weight of 415.58 g/mol. Its IUPAC name is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine
PubChem CID10740593
Molecular FormulaC26H33N5
Molecular Weight415.58 g/mol
Exact Mass415.27
IUPAC NameN-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine
SMILESc1ccc(N2CCN(CCC3CCC(Nc4ncnc5ccccc45)CC3)CC2)cc1
InChIInChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29)
InChIKeyIVCDUDHUOFADMA-UHFFFAOYSA-N
XLogP4.81
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine?
The IUPAC name of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine (CID 10740593) is N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine.
What is the SMILES notation for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine?
The canonical SMILES for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine is c1ccc(N2CCN(CCC3CCC(Nc4ncnc5ccccc45)CC3)CC2)cc1.
What is the InChIKey of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine?
The InChIKey is IVCDUDHUOFADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5/c1-2-6-23(7-3-1)31-18-16-30(17-19-31)15-14-21-10-12-22(13-11-21)29-26-24-8-4-5-9-25(24)27-20-28-26/h1-9,20-22H,10-19H2,(H,27,28,29).
What are the key properties of N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine?
N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine has a molecular weight of 415.58 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]quinazolin-4-amine is sourced from PubChem (CID 10740593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).