7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

C15H19FN2O — CID 103594457

IUPAC7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESCc1cc2c(cc1F)NC(=O)C1(CCCC(C)C1)N2
InChIInChI=1S/C15H19FN2O/c1-9-4-3-5-15(8-9)14(19)17-12-7-11(16)10(2)6-13(12)18-15/h6-7,9,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeySQZGPCQPXZRBLB-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.45
Rot. Bonds

About 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 103594457) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
PubChem CID103594457
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESCc1cc2c(cc1F)NC(=O)C1(CCCC(C)C1)N2
InChIInChI=1S/C15H19FN2O/c1-9-4-3-5-15(8-9)14(19)17-12-7-11(16)10(2)6-13(12)18-15/h6-7,9,18H,3-5,8H2,1-2H3,(H,17,19)
InChIKeySQZGPCQPXZRBLB-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one with MolForge

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Related Compounds

3'-methyl-2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-6-carboxylic acid
CID 82790417
7-chloro-6-fluorospiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 79296117
7-fluoro-3,3,8-trimethyl-2,5-dihydro-1H-1,5-benzodiazepin-4-one
CID 103594495
(5S,7S)-3-(4-bromo-2,6-dimethylphenyl)-4-hydroxy-7-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54707675
1-amino-N-(2,5-difluoro-4-methylphenyl)-3-methylcyclohexane-1-carboxamide
CID 103585988
3-butyl-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293566
3-(3-chloro-4-methylphenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61293928
6-bromo-7-fluoro-3'-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclohexane]
CID 116739887
3-(3,5-dichlorophenyl)-7-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107653741
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227
6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
CID 114089772
7-bromo-4'-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79296030

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (CID 103594457) is 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is Cc1cc2c(cc1F)NC(=O)C1(CCCC(C)C1)N2.
What is the InChIKey of 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is SQZGPCQPXZRBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-9-4-3-5-15(8-9)14(19)17-12-7-11(16)10(2)6-13(12)18-15/h6-7,9,18H,3-5,8H2,1-2H3,(H,17,19).
What are the key properties of 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 262.33 g/mol, XLogP of 3.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3',6-dimethylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 103594457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).