7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]

C14H20N2O — CID 84627140

IUPAC7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
SMILESCOc1ccc2c(c1)NC1(CCCC1)CN2C
InChIInChI=1S/C14H20N2O/c1-16-10-14(7-3-4-8-14)15-12-9-11(17-2)5-6-13(12)16/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyCFPLEJPGJBGKAI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.87
Rot. Bonds1

About 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]

7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] (PubChem CID 84627140) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane].

Molecular Properties

Compound Name7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
PubChem CID84627140
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
SMILESCOc1ccc2c(c1)NC1(CCCC1)CN2C
InChIInChI=1S/C14H20N2O/c1-16-10-14(7-3-4-8-14)15-12-9-11(17-2)5-6-13(12)16/h5-6,9,15H,3-4,7-8,10H2,1-2H3
InChIKeyCFPLEJPGJBGKAI-UHFFFAOYSA-N
XLogP2.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
CID 84623646
8-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]
CID 84627183
4-methoxy-8-methyl-8,16-diazatetracyclo[7.4.3.01,9.02,7]hexadeca-2(7),3,5-trien-15-one
CID 14038171
ethane;3-methyl-1,3-diazaspiro[4.4]nonan-2-one
CID 171546456
(3-fluoro-5-methoxy-1-methyl-2H-indol-3-yl)methanol
CID 162342798
cyclopentyl-(7-methoxyspiro[5H-pyrrolo[1,2-a]quinoxaline-4,4'-piperidine]-1'-yl)methanone
CID 53058204
3-tert-butyl-6-methoxy-2-methyl-1H-benzotriazole
CID 134239495
(1S,2S,6S,7S)-4-(2,4-dimethoxyphenyl)spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 98154970
(3aS)-7-methoxy-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxalin-4-one
CID 135040177
5-methoxy-2,3-dihydro-1H-benzimidazol-2-amine
CID 86340464
4-methyl-3-(1-methylspiro[2H-indole-3,1'-cyclopentane]-5-yl)oxyphenol
CID 134549186
7-methoxy-1,4-dimethyl-4,5-dihydro-3H-1,5-benzodiazepine-2-thione
CID 23241535

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
The IUPAC name of 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] (CID 84627140) is 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane].
What is the SMILES notation for 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
The canonical SMILES for 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] is COc1ccc2c(c1)NC1(CCCC1)CN2C.
What is the InChIKey of 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
The InChIKey is CFPLEJPGJBGKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-16-10-14(7-3-4-8-14)15-12-9-11(17-2)5-6-13(12)16/h5-6,9,15H,3-4,7-8,10H2,1-2H3.
What are the key properties of 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane]?
7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] has a molecular weight of 232.33 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methylspiro[1,3-dihydroquinoxaline-2,1'-cyclopentane] is sourced from PubChem (CID 84627140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).