3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one

C15H22N2O — CID 12886754

IUPAC3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one
SMILESCCCCCCC1(C)Nc2ccccc2NC1=O
InChIInChI=1S/C15H22N2O/c1-3-4-5-8-11-15(2)14(18)16-12-9-6-7-10-13(12)17-15/h6-7,9-10,17H,3-5,8,11H2,1-2H3,(H,16,18)
InChIKeySMPZXDSQOAXZTN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.78
Rot. Bonds5

About 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one

3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one (PubChem CID 12886754) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one
PubChem CID12886754
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one
SMILESCCCCCCC1(C)Nc2ccccc2NC1=O
InChIInChI=1S/C15H22N2O/c1-3-4-5-8-11-15(2)14(18)16-12-9-6-7-10-13(12)17-15/h6-7,9-10,17H,3-5,8,11H2,1-2H3,(H,16,18)
InChIKeySMPZXDSQOAXZTN-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-Dihydroxyquinoxaline
CID 27491
N1-(2-aminophenyl)-N8-phenyloctanediamide
CID 9543540
1,4-Dihydro-6-methylquinoxaline-2,3-dione
CID 73225
1-(Phenylamino)cyclohexane-1-carboxamide
CID 1264884
3,3-Dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 595203
3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 2763642
3,3-dimethyl-1-prop-2-enyl-4H-quinoxalin-2-one
CID 648713
(S)-3-Methyl-3,4-dihydroquinoxalin-2(1H)-one
CID 7062175
4-(2-(p-tolyl)acetyl)-3,4-dihydroquinoxalin-2(1H)-one
CID 16864023
3-isopropyl-3,4-dihydro-1H-quinoxalin-2-one
CID 43209025
1,2,3,4-Tetrahydroquinoline-2-carboxamide
CID 22177094
4-Acetyl-3,3-dimethyl-3,4-dihydro-1H-quinoxalin-2-one
CID 763771

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one?
The IUPAC name of 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one (CID 12886754) is 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one?
The canonical SMILES for 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one is CCCCCCC1(C)Nc2ccccc2NC1=O.
What is the InChIKey of 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one?
The InChIKey is SMPZXDSQOAXZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-4-5-8-11-15(2)14(18)16-12-9-6-7-10-13(12)17-15/h6-7,9-10,17H,3-5,8,11H2,1-2H3,(H,16,18).
What are the key properties of 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one?
3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-3-methyl-1,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 12886754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).