9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane

C16H19N3O2 — CID 133493903

IUPAC9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1nc2ccccc2nc1N1CCOC2(CCOC2)C1
InChIInChI=1S/C16H19N3O2/c1-12-15(18-14-5-3-2-4-13(14)17-12)19-7-9-21-16(10-19)6-8-20-11-16/h2-5H,6-11H2,1H3
InChIKeyHIYNNVHDQGZPJR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.93
Rot. Bonds1

About 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane

9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133493903) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133493903
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1nc2ccccc2nc1N1CCOC2(CCOC2)C1
InChIInChI=1S/C16H19N3O2/c1-12-15(18-14-5-3-2-4-13(14)17-12)19-7-9-21-16(10-19)6-8-20-11-16/h2-5H,6-11H2,1H3
InChIKeyHIYNNVHDQGZPJR-UHFFFAOYSA-N
XLogP1.93
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479181
9-pyridin-2-yl-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479328
3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
CID 113341930
9-(2-thiophen-3-ylquinazolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479287
9-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493818
4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378282
9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479114
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479209
9-[2-(difluoromethylsulfonyl)phenyl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479252
9-[2,6-di(propan-2-yl)pyrimidin-4-yl]-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493950
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
4-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]morpholine
CID 172900398

Frequently Asked Questions

What is the IUPAC name of 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane (CID 133493903) is 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane is Cc1nc2ccccc2nc1N1CCOC2(CCOC2)C1.
What is the InChIKey of 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is HIYNNVHDQGZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-15(18-14-5-3-2-4-13(14)17-12)19-7-9-21-16(10-19)6-8-20-11-16/h2-5H,6-11H2,1H3.
What are the key properties of 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 285.35 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133493903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).