1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one

C18H22N4O3 — CID 91837017

IUPAC1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCC(=O)NCC1C
InChIInChI=1S/C18H22N4O3/c1-12-11-19-16(23)9-10-22(12)17(24)8-7-15-18(25-2)21-14-6-4-3-5-13(14)20-15/h3-6,12H,7-11H2,1-2H3,(H,19,23)
InChIKeyUFVZCXJJCWKXRO-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.31
Rot. Bonds4

About 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one

1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one (PubChem CID 91837017) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
PubChem CID91837017
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCC(=O)NCC1C
InChIInChI=1S/C18H22N4O3/c1-12-11-19-16(23)9-10-22(12)17(24)8-7-15-18(25-2)21-14-6-4-3-5-13(14)20-15/h3-6,12H,7-11H2,1-2H3,(H,19,23)
InChIKeyUFVZCXJJCWKXRO-UHFFFAOYSA-N
XLogP1.31
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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,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
3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 92625835
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 90653167
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
3-(3-methoxyquinoxalin-2-yl)-N-phenylpropanamide
CID 6460420
(2S)-1-(3-hydroxypyridine-2-carbonyl)-2-methyl-1,4-diazepan-5-one
CID 95190418
3-[(2R)-2-methyl-5-oxo-1,4-diazepan-1-yl]-N-(4-methylphenyl)-3-oxopropanamide
CID 95188772
(5R,12S)-12-benzyl-7-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-3,7,10,13,18,19,20-heptazatricyclo[16.2.1.05,10]henicosa-1(21),19-diene-4,11,14-trione
CID 131936250
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

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
The IUPAC name of 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one (CID 91837017) is 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one.
What is the SMILES notation for 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
The canonical SMILES for 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one is COc1nc2ccccc2nc1CCC(=O)N1CCC(=O)NCC1C.
What is the InChIKey of 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
The InChIKey is UFVZCXJJCWKXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-11-19-16(23)9-10-22(12)17(24)8-7-15-18(25-2)21-14-6-4-3-5-13(14)20-15/h3-6,12H,7-11H2,1-2H3,(H,19,23).
What are the key properties of 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one?
1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one has a molecular weight of 342.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one is sourced from PubChem (CID 91837017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).