1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate

C22H26N4O2 — CID 143888196

IUPAC1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate
SMILES[H]/N=C(/CCCCc1cccc(-c2nc3ccccc3nc2OC)c1)OC(C)N
InChIInChI=1S/C22H26N4O2/c1-15(23)28-20(24)13-6-3-8-16-9-7-10-17(14-16)21-22(27-2)26-19-12-5-4-11-18(19)25-21/h4-5,7,9-12,14-15,24H,3,6,8,13,23H2,1-2H3/b24-20-
InChIKeyFWEKYLYZNNJJJA-GFMRDNFCSA-N
MW378.48 g/mol
LogP4.32
Rot. Bonds8

About 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate

1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate (PubChem CID 143888196) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate.

Molecular Properties

Compound Name1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate
PubChem CID143888196
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate
SMILES[H]/N=C(/CCCCc1cccc(-c2nc3ccccc3nc2OC)c1)OC(C)N
InChIInChI=1S/C22H26N4O2/c1-15(23)28-20(24)13-6-3-8-16-9-7-10-17(14-16)21-22(27-2)26-19-12-5-4-11-18(19)25-21/h4-5,7,9-12,14-15,24H,3,6,8,13,23H2,1-2H3/b24-20-
InChIKeyFWEKYLYZNNJJJA-GFMRDNFCSA-N
XLogP4.32
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate?
The IUPAC name of 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate (CID 143888196) is 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate.
What is the SMILES notation for 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate?
The canonical SMILES for 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate is [H]/N=C(/CCCCc1cccc(-c2nc3ccccc3nc2OC)c1)OC(C)N.
What is the InChIKey of 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate?
The InChIKey is FWEKYLYZNNJJJA-GFMRDNFCSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(23)28-20(24)13-6-3-8-16-9-7-10-17(14-16)21-22(27-2)26-19-12-5-4-11-18(19)25-21/h4-5,7,9-12,14-15,24H,3,6,8,13,23H2,1-2H3/b24-20-.
What are the key properties of 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate?
1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate has a molecular weight of 378.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate is sourced from PubChem (CID 143888196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).