1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate

C24H30N4O2 — CID 143888366

IUPAC1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate
SMILES[H]/N=C(/CCCCCCc1cccc(-c2nc3ccccc3nc2OC)c1)OC(C)N
InChIInChI=1S/C24H30N4O2/c1-17(25)30-22(26)15-6-4-3-5-10-18-11-9-12-19(16-18)23-24(29-2)28-21-14-8-7-13-20(21)27-23/h7-9,11-14,16-17,26H,3-6,10,15,25H2,1-2H3/b26-22-
InChIKeyKGMODJNYUSTOQD-ROMGYVFFSA-N
MW406.53 g/mol
LogP5.10
Rot. Bonds10

About 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate

1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate (PubChem CID 143888366) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate.

Molecular Properties

Compound Name1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate
PubChem CID143888366
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate
SMILES[H]/N=C(/CCCCCCc1cccc(-c2nc3ccccc3nc2OC)c1)OC(C)N
InChIInChI=1S/C24H30N4O2/c1-17(25)30-22(26)15-6-4-3-5-10-18-11-9-12-19(16-18)23-24(29-2)28-21-14-8-7-13-20(21)27-23/h7-9,11-14,16-17,26H,3-6,10,15,25H2,1-2H3/b26-22-
InChIKeyKGMODJNYUSTOQD-ROMGYVFFSA-N
XLogP5.10
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.10
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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Related Compounds

1-aminoethyl 5-[3-(3-methoxyquinoxalin-2-yl)phenyl]pentanimidate
CID 143888196
1-aminoethyl (E)-5-[3-[5,6-bis(ethenyl)-3-methoxypyrazin-2-yl]phenyl]pent-4-enimidate;ethane
CID 143888300
2-ethyl-4-[5-[3-(3-methoxyquinoxalin-2-yl)phenyl]-2,2-dimethylpentyl]-1,3-thiazole
CID 143888174
methyl 3-[3-(2,6-dimethylphenyl)phenyl]propanimidate
CID 146182928
1-[3-[8-(3-isoquinolin-1-ylphenyl)octyl]phenyl]isoquinoline
CID 140678792
ethyl 5-(3-phenylphenyl)pentanoate
CID 146915917
2-[3-[3-(6-phenylhexyl)phenyl]phenyl]quinoline
CID 122600309
4-(3-phenylphenyl)butan-1-amine
CID 117324209
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328
1-hexyl-3-(2-propan-2-ylphenyl)benzene
CID 173321287
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
2-fluoro-3-methoxyquinoxaline
CID 69493695

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate?
The IUPAC name of 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate (CID 143888366) is 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate.
What is the SMILES notation for 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate?
The canonical SMILES for 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate is [H]/N=C(/CCCCCCc1cccc(-c2nc3ccccc3nc2OC)c1)OC(C)N.
What is the InChIKey of 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate?
The InChIKey is KGMODJNYUSTOQD-ROMGYVFFSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-17(25)30-22(26)15-6-4-3-5-10-18-11-9-12-19(16-18)23-24(29-2)28-21-14-8-7-13-20(21)27-23/h7-9,11-14,16-17,26H,3-6,10,15,25H2,1-2H3/b26-22-.
What are the key properties of 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate?
1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate has a molecular weight of 406.53 g/mol, XLogP of 5.10, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl 7-[3-(3-methoxyquinoxalin-2-yl)phenyl]heptanimidate is sourced from PubChem (CID 143888366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).