2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone

C22H19N5O — CID 58448620

IUPAC2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
SMILESNc1ncccc1NCc1cccc(CC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C22H19N5O/c23-22-19(9-4-10-24-22)25-13-16-6-3-5-15(11-16)12-21(28)20-14-26-17-7-1-2-8-18(17)27-20/h1-11,14,25H,12-13H2,(H2,23,24)
InChIKeyGWZQWIVVNWAQLO-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.64
Rot. Bonds6

About 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone

2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone (PubChem CID 58448620) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone.

Molecular Properties

Compound Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
PubChem CID58448620
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone
SMILESNc1ncccc1NCc1cccc(CC(=O)c2cnc3ccccc3n2)c1
InChIInChI=1S/C22H19N5O/c23-22-19(9-4-10-24-22)25-13-16-6-3-5-15(11-16)12-21(28)20-14-26-17-7-1-2-8-18(17)27-20/h1-11,14,25H,12-13H2,(H2,23,24)
InChIKeyGWZQWIVVNWAQLO-UHFFFAOYSA-N
XLogP3.64
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-quinoxalin-2-ylethanone
CID 58448444
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(1H-pyrrol-2-yl)pyrazin-2-yl]ethanone
CID 58448510
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-fluoro-2-pyridinyl)ethanone
CID 58449100
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 58448651
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-[5-(propan-2-ylideneamino)oxypyrazin-2-yl]ethanone
CID 58448942
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(5-bromothiophen-2-yl)ethanone
CID 58448850
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-quinolin-2-ylethanone
CID 58449174
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 58448614
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(5-methylpyrazin-2-yl)ethanone
CID 58448836
N-[[3-[(quinoxaline-2-carbonylamino)methyl]phenyl]methyl]quinoxaline-2-carboxamide
CID 112799416
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]-4-fluorophenyl]-1-(5-methylsulfanylpyrazin-2-yl)ethanone
CID 58449335
2-[2-[[(2-amino-3-pyridinyl)amino]methyl]-4-pyridinyl]-1-(2-isocyanoimidazo[1,2-a]pyrazin-6-yl)ethanone
CID 58449119

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone?
The IUPAC name of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone (CID 58448620) is 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone.
What is the SMILES notation for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone?
The canonical SMILES for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone is Nc1ncccc1NCc1cccc(CC(=O)c2cnc3ccccc3n2)c1.
What is the InChIKey of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone?
The InChIKey is GWZQWIVVNWAQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c23-22-19(9-4-10-24-22)25-13-16-6-3-5-15(11-16)12-21(28)20-14-26-17-7-1-2-8-18(17)27-20/h1-11,14,25H,12-13H2,(H2,23,24).
What are the key properties of 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone?
2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone has a molecular weight of 369.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-3-pyridinyl)amino]methyl]phenyl]-1-quinoxalin-2-ylethanone is sourced from PubChem (CID 58448620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).