3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

C20H30N4O2 — CID 134108728

IUPAC3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
SMILESCCCCCCOc1nc2ccccc2nc1NCCN1CCOCC1
InChIInChI=1S/C20H30N4O2/c1-2-3-4-7-14-26-20-19(21-10-11-24-12-15-25-16-13-24)22-17-8-5-6-9-18(17)23-20/h5-6,8-9H,2-4,7,10-16H2,1H3,(H,21,22)
InChIKeyCRVVQVNDRXCMDZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.33
Rot. Bonds10

About 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine

3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (PubChem CID 134108728) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
PubChem CID134108728
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine
SMILESCCCCCCOc1nc2ccccc2nc1NCCN1CCOCC1
InChIInChI=1S/C20H30N4O2/c1-2-3-4-7-14-26-20-19(21-10-11-24-12-15-25-16-13-24)22-17-8-5-6-9-18(17)23-20/h5-6,8-9H,2-4,7,10-16H2,1H3,(H,21,22)
InChIKeyCRVVQVNDRXCMDZ-UHFFFAOYSA-N
XLogP3.33
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-hexoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806895
2,3-didodecoxyquinoxaline
CID 139934452
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988
1-N-decyl-3-N-(2-morpholin-4-ylethyl)benzene-1,3-diamine
CID 151335568
2-ethyl-4-N-(2-morpholin-4-ylethyl)-6-propoxypyrimidine-4,5-diamine
CID 82455713
4-N-(4-butoxyphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19143093
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
1-ethyl-N-(2-morpholin-4-ylethyl)benzimidazol-2-amine;dihydrochloride
CID 44888954
N-(2-morpholin-4-ylethyl)-4-(4-nonoxyphenyl)butan-2-amine
CID 19885135
2-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 20963131
N-[3-(3-morpholin-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide
CID 6471959
N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5309921

Frequently Asked Questions

What is the IUPAC name of 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The IUPAC name of 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine (CID 134108728) is 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The canonical SMILES for 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is CCCCCCOc1nc2ccccc2nc1NCCN1CCOCC1.
What is the InChIKey of 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
The InChIKey is CRVVQVNDRXCMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-2-3-4-7-14-26-20-19(21-10-11-24-12-15-25-16-13-24)22-17-8-5-6-9-18(17)23-20/h5-6,8-9H,2-4,7,10-16H2,1H3,(H,21,22).
What are the key properties of 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine?
3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine has a molecular weight of 358.49 g/mol, XLogP of 3.33, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N-(2-morpholin-4-ylethyl)quinoxalin-2-amine is sourced from PubChem (CID 134108728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).