N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline

C27H29N5 — CID 12763905

IUPACN-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline
SMILESc1ccc(N(CCCN2CCN(c3cnc4ccccc4n3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H29N5/c1-3-10-23(11-4-1)32(24-12-5-2-6-13-24)17-9-16-30-18-20-31(21-19-30)27-22-28-25-14-7-8-15-26(25)29-27/h1-8,10-15,22H,9,16-21H2
InChIKeyGAIODBYUZUKWCY-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.98
Rot. Bonds7

About N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline

N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline (PubChem CID 12763905) has the molecular formula C27H29N5 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline.

Molecular Properties

Compound NameN-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline
PubChem CID12763905
Molecular FormulaC27H29N5
Molecular Weight423.56 g/mol
Exact Mass423.24
IUPAC NameN-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline
SMILESc1ccc(N(CCCN2CCN(c3cnc4ccccc4n3)CC2)c2ccccc2)cc1
InChIInChI=1S/C27H29N5/c1-3-10-23(11-4-1)32(24-12-5-2-6-13-24)17-9-16-30-18-20-31(21-19-30)27-22-28-25-14-7-8-15-26(25)29-27/h1-8,10-15,22H,9,16-21H2
InChIKeyGAIODBYUZUKWCY-UHFFFAOYSA-N
XLogP4.98
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline?
The IUPAC name of N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline (CID 12763905) is N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline.
What is the SMILES notation for N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline?
The canonical SMILES for N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline is c1ccc(N(CCCN2CCN(c3cnc4ccccc4n3)CC2)c2ccccc2)cc1.
What is the InChIKey of N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline?
The InChIKey is GAIODBYUZUKWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5/c1-3-10-23(11-4-1)32(24-12-5-2-6-13-24)17-9-16-30-18-20-31(21-19-30)27-22-28-25-14-7-8-15-26(25)29-27/h1-8,10-15,22H,9,16-21H2.
What are the key properties of N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline?
N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline has a molecular weight of 423.56 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline is sourced from PubChem (CID 12763905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).