4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone

C62H65N9O5 — CID 87243938

IUPAC4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1.COc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(C)c1
InChIInChI=1S/C22H25N3O.C20H21N3O2.C20H19N3O2/c1-22(2,3)18-7-4-16(5-8-18)17-6-9-19-20(14-17)24-21(15-23-19)25-10-12-26-13-11-25;1-14-11-16(24-2)4-5-17(14)15-3-6-18-19(12-15)22-20(13-21-18)23-7-9-25-10-8-23;1-14(24)15-2-4-16(5-3-15)17-6-7-18-19(12-17)22-20(13-21-18)23-8-10-25-11-9-23/h4-9,14-15H,10-13H2,1-3H3;3-6,11-13H,7-10H2,1-2H3;2-7,12-13H,8-11H2,1H3
InChIKeyQKKIQHBNEVFDHT-UHFFFAOYSA-N
MW1016.26 g/mol
LogP11.22
Rot. Bonds8

About 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone

4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone (PubChem CID 87243938) has the molecular formula C62H65N9O5 and a molecular weight of 1016.26 g/mol. Its IUPAC name is 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone.

Molecular Properties

Compound Name4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
PubChem CID87243938
Molecular FormulaC62H65N9O5
Molecular Weight1016.26 g/mol
Exact Mass1015.51
IUPAC Name4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
SMILESCC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1.COc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(C)c1
InChIInChI=1S/C22H25N3O.C20H21N3O2.C20H19N3O2/c1-22(2,3)18-7-4-16(5-8-18)17-6-9-19-20(14-17)24-21(15-23-19)25-10-12-26-13-11-25;1-14-11-16(24-2)4-5-17(14)15-3-6-18-19(12-15)22-20(13-21-18)23-7-9-25-10-8-23;1-14(24)15-2-4-16(5-3-15)17-6-7-18-19(12-17)22-20(13-21-18)23-8-10-25-11-9-23/h4-9,14-15H,10-13H2,1-3H3;3-6,11-13H,7-10H2,1-2H3;2-7,12-13H,8-11H2,1H3
InChIKeyQKKIQHBNEVFDHT-UHFFFAOYSA-N
XLogP11.22
TPSA141.05 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.26
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The IUPAC name of 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone (CID 87243938) is 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone.
What is the SMILES notation for 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The canonical SMILES for 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone is CC(=O)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1.CC(C)(C)c1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1.COc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c(C)c1.
What is the InChIKey of 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The InChIKey is QKKIQHBNEVFDHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.C20H21N3O2.C20H19N3O2/c1-22(2,3)18-7-4-16(5-8-18)17-6-9-19-20(14-17)24-21(15-23-19)25-10-12-26-13-11-25;1-14-11-16(24-2)4-5-17(14)15-3-6-18-19(12-15)22-20(13-21-18)23-7-9-25-10-8-23;1-14(24)15-2-4-16(5-3-15)17-6-7-18-19(12-17)22-20(13-21-18)23-8-10-25-11-9-23/h4-9,14-15H,10-13H2,1-3H3;3-6,11-13H,7-10H2,1-2H3;2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone has a molecular weight of 1016.26 g/mol, XLogP of 11.22, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(4-tert-butylphenyl)quinoxalin-2-yl]morpholine;4-[7-(4-methoxy-2-methylphenyl)quinoxalin-2-yl]morpholine;1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone is sourced from PubChem (CID 87243938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).