8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane

C28H36N6 — CID 145185350

IUPAC8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane
SMILESCC.CC.CC(Nc1cc(-c2cccc(N3CC(N)C3)c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C24H24N6.2C2H6/c1-16(18-5-3-7-26-13-18)29-20-11-22(24-23(12-20)27-8-9-28-24)17-4-2-6-21(10-17)30-14-19(25)15-30;2*1-2/h2-13,16,19,29H,14-15,25H2,1H3;2*1-2H3
InChIKeyIGACQMPYHTXVTR-UHFFFAOYSA-N
MW456.64 g/mol
LogP6.06
Rot. Bonds5

About 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane

8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane (PubChem CID 145185350) has the molecular formula C28H36N6 and a molecular weight of 456.64 g/mol. Its IUPAC name is 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane.

Molecular Properties

Compound Name8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane
PubChem CID145185350
Molecular FormulaC28H36N6
Molecular Weight456.64 g/mol
Exact Mass456.30
IUPAC Name8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane
SMILESCC.CC.CC(Nc1cc(-c2cccc(N3CC(N)C3)c2)c2nccnc2c1)c1cccnc1
InChIInChI=1S/C24H24N6.2C2H6/c1-16(18-5-3-7-26-13-18)29-20-11-22(24-23(12-20)27-8-9-28-24)17-4-2-6-21(10-17)30-14-19(25)15-30;2*1-2/h2-13,16,19,29H,14-15,25H2,1H3;2*1-2H3
InChIKeyIGACQMPYHTXVTR-UHFFFAOYSA-N
XLogP6.06
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.64
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

8-(1-methylindol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 122689144
8-(1H-indol-6-yl)-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine
CID 134540243
1-[3-(7-chloroquinoxalin-5-yl)phenyl]azetidin-3-amine
CID 122697630
6-[7-(1-pyridin-3-ylethylamino)quinoxalin-5-yl]chromen-4-one
CID 122689019
N-(1-pyridin-3-ylpropyl)-8-quinolin-6-ylquinoxalin-6-amine
CID 145185335
ethane;4-[7-[[piperidin-4-yl(pyridin-3-yl)methyl]amino]quinoxalin-5-yl]benzenethiol
CID 145185016
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 122689360
8-(1-methylindol-6-yl)-N-(1-pyridin-4-ylethyl)quinoxalin-6-amine
CID 122689036
8-(1-methylindol-6-yl)-N-(1-pyrazin-2-ylethyl)quinoxalin-6-amine
CID 122689287
N-[(S)-(1-methylpyrazol-4-yl)-pyridin-3-ylmethyl]-8-(1-methylpyrrolo[3,2-b]pyridin-6-yl)quinoxalin-6-amine
CID 134509543
N-[(R)-(6-methylidene-1H-pyridazin-3-yl)-pyridin-3-ylmethyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine
CID 134509466
N-[cyclohexyl(pyridin-3-yl)methyl]-8-(1-methylindol-6-yl)quinoxalin-6-amine;N,N-diethyl-2-[4-[[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-pyridin-3-ylmethyl]piperidin-1-yl]acetamide
CID 158436803

Frequently Asked Questions

What is the IUPAC name of 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane?
The IUPAC name of 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane (CID 145185350) is 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane.
What is the SMILES notation for 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane?
The canonical SMILES for 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane is CC.CC.CC(Nc1cc(-c2cccc(N3CC(N)C3)c2)c2nccnc2c1)c1cccnc1.
What is the InChIKey of 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane?
The InChIKey is IGACQMPYHTXVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6.2C2H6/c1-16(18-5-3-7-26-13-18)29-20-11-22(24-23(12-20)27-8-9-28-24)17-4-2-6-21(10-17)30-14-19(25)15-30;2*1-2/h2-13,16,19,29H,14-15,25H2,1H3;2*1-2H3.
What are the key properties of 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane?
8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane has a molecular weight of 456.64 g/mol, XLogP of 6.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(3-aminoazetidin-1-yl)phenyl]-N-(1-pyridin-3-ylethyl)quinoxalin-6-amine;ethane is sourced from PubChem (CID 145185350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).