1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone

C26H29N3O2 — CID 159328346

IUPAC1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)C1CCCCC1
InChIInChI=1S/C26H29N3O2/c30-25(21-4-2-1-3-5-21)16-19-6-8-20(9-7-19)22-10-11-23-24(17-22)28-26(18-27-23)29-12-14-31-15-13-29/h6-11,17-18,21H,1-5,12-16H2
InChIKeyLEQTYUCLGNNKJH-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.83
Rot. Bonds5

About 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone

1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone (PubChem CID 159328346) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
PubChem CID159328346
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
SMILESO=C(Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)C1CCCCC1
InChIInChI=1S/C26H29N3O2/c30-25(21-4-2-1-3-5-21)16-19-6-8-20(9-7-19)22-10-11-23-24(17-22)28-26(18-27-23)29-12-14-31-15-13-29/h6-11,17-18,21H,1-5,12-16H2
InChIKeyLEQTYUCLGNNKJH-UHFFFAOYSA-N
XLogP4.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]propan-2-one
CID 158380673
1-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 153102403
1-cyclopropyl-2-[4-[3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoxalin-6-yl]phenyl]ethanone
CID 160916995
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 147372579
2-chloro-N-cyclopropyl-5-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67035546
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
N-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 67035538
1-[4-(dimethylamino)phenyl]-3-[4-[3-(4-pyridin-4-ylpiperazin-1-yl)quinoxalin-6-yl]phenyl]propan-2-one
CID 157464006
3-(3-piperidin-1-ylquinoxalin-6-yl)phenol
CID 67035904
2-fluoro-4-(3-morpholin-4-ylquinoxalin-6-yl)-N-propan-2-ylbenzamide
CID 67035276

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The IUPAC name of 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone (CID 159328346) is 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone is O=C(Cc1ccc(-c2ccc3ncc(N4CCOCC4)nc3c2)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The InChIKey is LEQTYUCLGNNKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c30-25(21-4-2-1-3-5-21)16-19-6-8-20(9-7-19)22-10-11-23-24(17-22)28-26(18-27-23)29-12-14-31-15-13-29/h6-11,17-18,21H,1-5,12-16H2.
What are the key properties of 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone has a molecular weight of 415.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone is sourced from PubChem (CID 159328346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).