1-hexadecyl-3-methylquinoxalin-2-one

C25H40N2O — CID 57358117

IUPAC1-hexadecyl-3-methylquinoxalin-2-one
SMILESCCCCCCCCCCCCCCCCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C25H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-24-20-17-16-19-23(24)26-22(2)25(27)28/h16-17,19-20H,3-15,18,21H2,1-2H3
InChIKeyHZEJYTFKRVUYBR-UHFFFAOYSA-N
MW384.61 g/mol
LogP7.19
Rot. Bonds15

About 1-hexadecyl-3-methylquinoxalin-2-one

1-hexadecyl-3-methylquinoxalin-2-one (PubChem CID 57358117) has the molecular formula C25H40N2O and a molecular weight of 384.61 g/mol. Its IUPAC name is 1-hexadecyl-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-hexadecyl-3-methylquinoxalin-2-one
PubChem CID57358117
Molecular FormulaC25H40N2O
Molecular Weight384.61 g/mol
Exact Mass384.31
IUPAC Name1-hexadecyl-3-methylquinoxalin-2-one
SMILESCCCCCCCCCCCCCCCCn1c(=O)c(C)nc2ccccc21
InChIInChI=1S/C25H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-24-20-17-16-19-23(24)26-22(2)25(27)28/h16-17,19-20H,3-15,18,21H2,1-2H3
InChIKeyHZEJYTFKRVUYBR-UHFFFAOYSA-N
XLogP7.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
10-hexyl-3-methylbenzo[g]pteridine-2,4-dione
CID 14430190
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
2-nonyl-1-undecylbenzimidazole
CID 139787757
2-heptyl-1-nonylbenzimidazole
CID 139787766
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2-[3,5-bis(1-decylbenzimidazol-2-yl)phenyl]-1-decylbenzimidazole
CID 102531556
3-benzoyl-1-pentylquinoxalin-2-one
CID 2016912
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777

Frequently Asked Questions

What is the IUPAC name of 1-hexadecyl-3-methylquinoxalin-2-one?
The IUPAC name of 1-hexadecyl-3-methylquinoxalin-2-one (CID 57358117) is 1-hexadecyl-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-hexadecyl-3-methylquinoxalin-2-one?
The canonical SMILES for 1-hexadecyl-3-methylquinoxalin-2-one is CCCCCCCCCCCCCCCCn1c(=O)c(C)nc2ccccc21.
What is the InChIKey of 1-hexadecyl-3-methylquinoxalin-2-one?
The InChIKey is HZEJYTFKRVUYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N2O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-27-24-20-17-16-19-23(24)26-22(2)25(27)28/h16-17,19-20H,3-15,18,21H2,1-2H3.
What are the key properties of 1-hexadecyl-3-methylquinoxalin-2-one?
1-hexadecyl-3-methylquinoxalin-2-one has a molecular weight of 384.61 g/mol, XLogP of 7.19, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexadecyl-3-methylquinoxalin-2-one is sourced from PubChem (CID 57358117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).