N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine

C22H26N4O — CID 60504099

IUPACN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine
SMILESCC1CN(Cc2ccc(CNc3cnc4ccccc4n3)cc2)CC(C)O1
InChIInChI=1S/C22H26N4O/c1-16-13-26(14-17(2)27-16)15-19-9-7-18(8-10-19)11-24-22-12-23-20-5-3-4-6-21(20)25-22/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,24,25)
InChIKeyJUQBBJUPBNLLJR-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.85
Rot. Bonds5

About N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine

N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine (PubChem CID 60504099) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine
PubChem CID60504099
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine
SMILESCC1CN(Cc2ccc(CNc3cnc4ccccc4n3)cc2)CC(C)O1
InChIInChI=1S/C22H26N4O/c1-16-13-26(14-17(2)27-16)15-19-9-7-18(8-10-19)11-24-22-12-23-20-5-3-4-6-21(20)25-22/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,24,25)
InChIKeyJUQBBJUPBNLLJR-UHFFFAOYSA-N
XLogP3.85
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine?
The IUPAC name of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine (CID 60504099) is N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine is CC1CN(Cc2ccc(CNc3cnc4ccccc4n3)cc2)CC(C)O1.
What is the InChIKey of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine?
The InChIKey is JUQBBJUPBNLLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-16-13-26(14-17(2)27-16)15-19-9-7-18(8-10-19)11-24-22-12-23-20-5-3-4-6-21(20)25-22/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,24,25).
What are the key properties of N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine?
N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine has a molecular weight of 362.48 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 60504099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).