azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone

C18H23N3O — CID 47009187

IUPACazocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCCCCC3)cc2nc1C
InChIInChI=1S/C18H23N3O/c1-13-14(2)20-17-12-15(8-9-16(17)19-13)18(22)21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyXKUVMFNWBJRYGY-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.65
Rot. Bonds1

About azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone

azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone (PubChem CID 47009187) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone.

Molecular Properties

Compound Nameazocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
PubChem CID47009187
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Nameazocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
SMILESCc1nc2ccc(C(=O)N3CCCCCCC3)cc2nc1C
InChIInChI=1S/C18H23N3O/c1-13-14(2)20-17-12-15(8-9-16(17)19-13)18(22)21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyXKUVMFNWBJRYGY-UHFFFAOYSA-N
XLogP3.65
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(azepan-1-yl)piperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 110667059
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
2-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 51255754
(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
(3S)-1-(2,3-dimethylquinoxaline-6-carbonyl)piperidine-3-carboxamide
CID 94457790
(3-methylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 170073145
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]cyclohexanecarboxamide
CID 108549986
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone?
The IUPAC name of azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone (CID 47009187) is azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone.
What is the SMILES notation for azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone?
The canonical SMILES for azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone is Cc1nc2ccc(C(=O)N3CCCCCCC3)cc2nc1C.
What is the InChIKey of azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone?
The InChIKey is XKUVMFNWBJRYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13-14(2)20-17-12-15(8-9-16(17)19-13)18(22)21-10-6-4-3-5-7-11-21/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone?
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone is sourced from PubChem (CID 47009187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).