4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

C16H22N2O — CID 79296203

IUPAC4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESCCC1CCC2(CC1)Nc1ccc(C)cc1NC2=O
InChIInChI=1S/C16H22N2O/c1-3-12-6-8-16(9-7-12)15(19)17-14-10-11(2)4-5-13(14)18-16/h4-5,10,12,18H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyNEXQOAXKWDPTIP-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.70
Rot. Bonds1

About 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 79296203) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
PubChem CID79296203
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESCCC1CCC2(CC1)Nc1ccc(C)cc1NC2=O
InChIInChI=1S/C16H22N2O/c1-3-12-6-8-16(9-7-12)15(19)17-14-10-11(2)4-5-13(14)18-16/h4-5,10,12,18H,3,6-9H2,1-2H3,(H,17,19)
InChIKeyNEXQOAXKWDPTIP-UHFFFAOYSA-N
XLogP3.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dihydro-6-methylquinoxaline-2,3-dione
CID 73225
6,7-Dimethyl-2,3-quinoxalinediol
CID 247670
5,7-Dimethyl-1,4-dihydroquinoxaline-2,3-dione
CID 655777
Pimelic Diphenylamide 106
CID 16070100
3-((dimethylamino)methyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 45271143
3-(pyrrolidin-1-ylmethyl)-7,8,9,10-tetrahydro-5H-pyrido[1,2-a]quinoxalin-6(6aH)-one
CID 45272045
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-2-carboxamide
CID 24696437
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 4384031
(3S)-N-[(2R)-4-methyl-1-(4-methylanilino)-1-oxopentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7583437
(3S)-N-[(2S)-4-methyl-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}pentan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7631852
(3S)-N-[(2R)-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}propan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7631906
(3S)-N-{2-[(4-ethylphenyl)amino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 8027993

Frequently Asked Questions

What is the IUPAC name of 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (CID 79296203) is 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is CCC1CCC2(CC1)Nc1ccc(C)cc1NC2=O.
What is the InChIKey of 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is NEXQOAXKWDPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-12-6-8-16(9-7-12)15(19)17-14-10-11(2)4-5-13(14)18-16/h4-5,10,12,18H,3,6-9H2,1-2H3,(H,17,19).
What are the key properties of 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 258.36 g/mol, XLogP of 3.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4'-ethyl-7-methylspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 79296203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).