3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

C21H27N5O2 — CID 72839296

IUPAC3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCc1nc2ccc(C(=O)N3CCC4(CC3)C(=O)NCCCN4C)cc2nc1C
InChIInChI=1S/C21H27N5O2/c1-14-15(2)24-18-13-16(5-6-17(18)23-14)19(27)26-11-7-21(8-12-26)20(28)22-9-4-10-25(21)3/h5-6,13H,4,7-12H2,1-3H3,(H,22,28)
InChIKeyYAXCIZBGNATZBW-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.67
Rot. Bonds1

About 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one

3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (PubChem CID 72839296) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.

Molecular Properties

Compound Name3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
PubChem CID72839296
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
SMILESCc1nc2ccc(C(=O)N3CCC4(CC3)C(=O)NCCCN4C)cc2nc1C
InChIInChI=1S/C21H27N5O2/c1-14-15(2)24-18-13-16(5-6-17(18)23-14)19(27)26-11-7-21(8-12-26)20(28)22-9-4-10-25(21)3/h5-6,13H,4,7-12H2,1-3H3,(H,22,28)
InChIKeyYAXCIZBGNATZBW-UHFFFAOYSA-N
XLogP1.67
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one with MolForge

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-piperazin-1-ylmethanone
CID 39283599
azocan-1-yl-(2,3-dimethylquinoxalin-6-yl)methanone
CID 47009187
7-methyl-3-(3-prop-2-enoxybenzoyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56743339
3-(2,5-dimethylfuran-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 86285979
3-(5-chloro-6-oxo-1H-pyridine-3-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 77078755
7-methyl-3-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 70708559
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(2,3-dimethylquinoxalin-6-yl)methanone
CID 71704467
7-methyl-3-(quinoline-8-carbonyl)-3,7,11-triazaspiro[5.6]dodecan-12-one
CID 56738764
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
(4-chlorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108544797
(3,4-difluorophenyl)-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]methanone
CID 55586065
2-chloro-1-[4-(2,3-dimethylquinoxaline-6-carbonyl)piperazin-1-yl]ethanone
CID 108569331

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The IUPAC name of 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one (CID 72839296) is 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one.
What is the SMILES notation for 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The canonical SMILES for 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is Cc1nc2ccc(C(=O)N3CCC4(CC3)C(=O)NCCCN4C)cc2nc1C.
What is the InChIKey of 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
The InChIKey is YAXCIZBGNATZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-14-15(2)24-18-13-16(5-6-17(18)23-14)19(27)26-11-7-21(8-12-26)20(28)22-9-4-10-25(21)3/h5-6,13H,4,7-12H2,1-3H3,(H,22,28).
What are the key properties of 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one?
3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one has a molecular weight of 381.48 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethylquinoxaline-6-carbonyl)-7-methyl-3,7,11-triazaspiro[5.6]dodecan-12-one is sourced from PubChem (CID 72839296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).