1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one

C15H20N2O2 — CID 55067815

IUPAC1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCCCC(C)O)c1=O
InChIInChI=1S/C15H20N2O2/c1-11(18)7-5-6-10-17-14-9-4-3-8-13(14)16-12(2)15(17)19/h3-4,8-9,11,18H,5-7,10H2,1-2H3
InChIKeyHLALLNXBDHSGKG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.26
Rot. Bonds5

About 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one

1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one (PubChem CID 55067815) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
PubChem CID55067815
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
SMILESCc1nc2ccccc2n(CCCCC(C)O)c1=O
InChIInChI=1S/C15H20N2O2/c1-11(18)7-5-6-10-17-14-9-4-3-8-13(14)16-12(2)15(17)19/h3-4,8-9,11,18H,5-7,10H2,1-2H3
InChIKeyHLALLNXBDHSGKG-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
1-[3-(ethylamino)butyl]-3-methylquinoxalin-2-one
CID 62374390
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
N-methyl-N-[3-(3-methyl-2-oxoquinoxalin-1-yl)propyl]prop-2-ynamide
CID 146100678
2,2-dimethyl-5-(3-methyl-2-oxoquinoxalin-1-yl)pentanethioamide
CID 65260313
3-methyl-1-[2-(pentan-3-ylamino)ethyl]quinoxalin-2-one
CID 62567165
N-[2,6-di(propan-2-yl)phenyl]-2-(3-methyl-2-oxoquinoxalin-1-yl)acetamide
CID 39967043
2-(3-methyl-2-oxoquinoxalin-1-yl)acetohydrazide
CID 14616290
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one?
The IUPAC name of 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one (CID 55067815) is 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one?
The canonical SMILES for 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one is Cc1nc2ccccc2n(CCCCC(C)O)c1=O.
What is the InChIKey of 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one?
The InChIKey is HLALLNXBDHSGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11(18)7-5-6-10-17-14-9-4-3-8-13(14)16-12(2)15(17)19/h3-4,8-9,11,18H,5-7,10H2,1-2H3.
What are the key properties of 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one?
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one has a molecular weight of 260.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one is sourced from PubChem (CID 55067815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).