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

C23H23N3O2 — CID 147372579

IUPAC2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
SMILESO=C(CC1CC1)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C23H23N3O2/c27-22(12-16-4-5-16)19-3-1-2-17(13-19)18-6-7-20-21(14-18)25-23(15-24-20)26-8-10-28-11-9-26/h1-3,6-7,13-16H,4-5,8-12H2
InChIKeyDJJRYKRAXAWDQS-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.12
Rot. Bonds5

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

2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone (PubChem CID 147372579) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
PubChem CID147372579
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
SMILESO=C(CC1CC1)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1
InChIInChI=1S/C23H23N3O2/c27-22(12-16-4-5-16)19-3-1-2-17(13-19)18-6-7-20-21(14-18)25-23(15-24-20)26-8-10-28-11-9-26/h1-3,6-7,13-16H,4-5,8-12H2
InChIKeyDJJRYKRAXAWDQS-UHFFFAOYSA-N
XLogP4.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]-2-phenylethanone
CID 157427262
1-cyclopropyl-3-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]propan-2-one
CID 158380673
4-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67036137
4-[7-(3-nitrophenyl)quinoxalin-2-yl]morpholine
CID 51042260
4-[7-[3-(trifluoromethyl)phenyl]quinoxalin-2-yl]morpholine
CID 51042039
1-cyclohexyl-2-[4-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone
CID 159328346
4-[7-(3-propan-2-yloxyphenyl)quinoxalin-2-yl]morpholine
CID 51039662
N,N-dimethyl-3-(3-morpholin-4-ylquinoxalin-6-yl)benzenesulfonamide
CID 67035240
2-chloro-N-cyclopropyl-5-(3-morpholin-4-ylquinoxalin-6-yl)benzamide
CID 67035546
piperidin-1-yl-[3-(3-piperidin-1-ylquinoxalin-6-yl)phenyl]methanone
CID 67035179
4-[7-(3,5-difluorophenyl)quinoxalin-2-yl]morpholine
CID 67035153
(2-chloro-3-hydroxyphenyl)-(3-morpholin-4-ylquinoxalin-6-yl)methanone
CID 89478019

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The IUPAC name of 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone (CID 147372579) is 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone.
What is the SMILES notation for 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The canonical SMILES for 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone is O=C(CC1CC1)c1cccc(-c2ccc3ncc(N4CCOCC4)nc3c2)c1.
What is the InChIKey of 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
The InChIKey is DJJRYKRAXAWDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-22(12-16-4-5-16)19-3-1-2-17(13-19)18-6-7-20-21(14-18)25-23(15-24-20)26-8-10-28-11-9-26/h1-3,6-7,13-16H,4-5,8-12H2.
What are the key properties of 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone?
2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone has a molecular weight of 373.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-(3-morpholin-4-ylquinoxalin-6-yl)phenyl]ethanone is sourced from PubChem (CID 147372579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).