5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]

C13H18N2O — CID 115097269

IUPAC5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
SMILESCOc1cccc2c1N(C)C1(CCC1)CN2
InChIInChI=1S/C13H18N2O/c1-15-12-10(5-3-6-11(12)16-2)14-9-13(15)7-4-8-13/h3,5-6,14H,4,7-9H2,1-2H3
InChIKeyPYRNOPQXBIYORY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.48
Rot. Bonds1

About 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]

5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] (PubChem CID 115097269) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane].

Molecular Properties

Compound Name5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
PubChem CID115097269
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]
SMILESCOc1cccc2c1N(C)C1(CCC1)CN2
InChIInChI=1S/C13H18N2O/c1-15-12-10(5-3-6-11(12)16-2)14-9-13(15)7-4-8-13/h3,5-6,14H,4,7-9H2,1-2H3
InChIKeyPYRNOPQXBIYORY-UHFFFAOYSA-N
XLogP2.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] with MolForge

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Related Compounds

5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097947
6-methoxy-5-methylspiro[2,4-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]
CID 115099270
5-bromo-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097943
5-tert-butyl-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 84637531
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097937
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
CID 72698777
4-methyl-5-(trifluoromethyl)spiro[1,2-dihydroquinoxaline-3,1'-cyclopropane]
CID 115096893
6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
CID 113393267
6-methoxy-5-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 84620698
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
8-methoxy-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115098056
5-methyl-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclohexane]
CID 115097965

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The IUPAC name of 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] (CID 115097269) is 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane].
What is the SMILES notation for 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The canonical SMILES for 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] is COc1cccc2c1N(C)C1(CCC1)CN2.
What is the InChIKey of 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
The InChIKey is PYRNOPQXBIYORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-15-12-10(5-3-6-11(12)16-2)14-9-13(15)7-4-8-13/h3,5-6,14H,4,7-9H2,1-2H3.
What are the key properties of 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane]?
5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] has a molecular weight of 218.30 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methylspiro[1,2-dihydroquinoxaline-3,1'-cyclobutane] is sourced from PubChem (CID 115097269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).