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

C20H22N4O — CID 99788867

IUPACN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
SMILESC[C@@H]1CN(c2ccc(Nc3cnc4ccccc4n3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H22N4O/c1-14-12-24(13-15(2)25-14)17-9-7-16(8-10-17)22-20-11-21-18-5-3-4-6-19(18)23-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/t14-,15+
InChIKeyNDHXFOVZWBYLLN-GASCZTMLSA-N
MW334.42 g/mol
LogP3.99
Rot. Bonds3

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

N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine (PubChem CID 99788867) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
PubChem CID99788867
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine
SMILESC[C@@H]1CN(c2ccc(Nc3cnc4ccccc4n3)cc2)C[C@H](C)O1
InChIInChI=1S/C20H22N4O/c1-14-12-24(13-15(2)25-14)17-9-7-16(8-10-17)22-20-11-21-18-5-3-4-6-19(18)23-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/t14-,15+
InChIKeyNDHXFOVZWBYLLN-GASCZTMLSA-N
XLogP3.99
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine?
The IUPAC name of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine (CID 99788867) is N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine.
What is the SMILES notation for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine?
The canonical SMILES for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine is C[C@@H]1CN(c2ccc(Nc3cnc4ccccc4n3)cc2)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine?
The InChIKey is NDHXFOVZWBYLLN-GASCZTMLSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-12-24(13-15(2)25-14)17-9-7-16(8-10-17)22-20-11-21-18-5-3-4-6-19(18)23-20/h3-11,14-15H,12-13H2,1-2H3,(H,22,23)/t14-,15+.
What are the key properties of N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine?
N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine has a molecular weight of 334.42 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]quinoxalin-2-amine is sourced from PubChem (CID 99788867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).