1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one

C18H23N3O2 — CID 163338550

IUPAC1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCCCCC1
InChIInChI=1S/C18H23N3O2/c1-23-18-16(19-14-8-4-5-9-15(14)20-18)10-11-17(22)21-12-6-2-3-7-13-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyOOYMIKGLBCACEW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.97
Rot. Bonds4

About 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one

1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one (PubChem CID 163338550) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
PubChem CID163338550
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one
SMILESCOc1nc2ccccc2nc1CCC(=O)N1CCCCCC1
InChIInChI=1S/C18H23N3O2/c1-23-18-16(19-14-8-4-5-9-15(14)20-18)10-11-17(22)21-12-6-2-3-7-13-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3
InChIKeyOOYMIKGLBCACEW-UHFFFAOYSA-N
XLogP2.97
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyquinoxalin-2-yl)-1-piperidin-1-ylpropan-1-one
CID 6461182
3-(3-methoxyquinoxalin-2-yl)-1-[(3S)-3-phenylpyrrolidin-1-yl]propan-1-one
CID 92625835
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
1-[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(3-methoxyquinoxalin-2-yl)propan-1-one
CID 90653167
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
1-[3-(3-methoxyquinoxalin-2-yl)propanoyl]-2-methyl-1,4-diazepan-5-one
CID 91837017
3-(3-methoxyquinoxalin-2-yl)-N-phenylpropanamide
CID 6460420
(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-(azepan-1-yl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propan-1-one
CID 110649497
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-[(2-methoxyphenyl)methyl]-6-(3-oxo-3-piperidin-1-ylpropyl)-4H-1,2,4-triazin-5-one
CID 135859607

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one (CID 163338550) is 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one is COc1nc2ccccc2nc1CCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
The InChIKey is OOYMIKGLBCACEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-23-18-16(19-14-8-4-5-9-15(14)20-18)10-11-17(22)21-12-6-2-3-7-13-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3.
What are the key properties of 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one?
1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-(3-methoxyquinoxalin-2-yl)propan-1-one is sourced from PubChem (CID 163338550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).