3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one

C22H23N3O2 — CID 92625835

IUPAC3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c1-27-22-20(23-18-9-5-6-10-19(18)24-22)11-12-21(26)25-14-13-17(15-25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/t17-/m1/s1
InChIKeyOVGLIJYBFNXRSC-QGZVFWFLSA-N
MW361.45 g/mol
LogP3.59
Rot. Bonds5

About 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one

3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one (PubChem CID 92625835) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
PubChem CID92625835
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CC[C@@H](c2ccccc2)C1
InChIInChI=1S/C22H23N3O2/c1-27-22-20(23-18-9-5-6-10-19(18)24-22)11-12-21(26)25-14-13-17(15-25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/t17-/m1/s1
InChIKeyOVGLIJYBFNXRSC-QGZVFWFLSA-N
XLogP3.59
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 163338550
3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6461182
1-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 135106634
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
1-[(3aS,9aR)-1,2,3,3a,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocin-4-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 110136210
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
1-[3-(4-methoxyphenyl)azepan-1-yl]-3-phenylpropan-1-one
CID 121147024
3-(2-aminophenyl)-1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120610223
2-[2-(methoxymethyl)benzimidazol-1-yl]-1-[(3R)-3-phenylpyrrolidin-1-yl]ethanone
CID 92625830
N-cycloheptyl-3-(3-methoxyquinoxalin-2-yl)propanamide
CID 6458077
(5aS,8aS)-7-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-5-methyl-2,3,5a,6,8,8a-hexahydropyrrolo[3,4-b][1,4]oxazepin-4-one;formic acid
CID 155972480
1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 91837017

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one (CID 92625835) is 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one is COc1nc2ccccc2nc1CCC(=O)N1CC[C@@H](c2ccccc2)C1.
What is the InChIKey of 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one?
The InChIKey is OVGLIJYBFNXRSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-27-22-20(23-18-9-5-6-10-19(18)24-22)11-12-21(26)25-14-13-17(15-25)16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3/t17-/m1/s1.
What are the key properties of 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one?
3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one has a molecular weight of 361.45 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92625835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).