1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one

C14H18N2O2 — CID 162372194

IUPAC1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
SMILESCCn1c(=O)c(CCC(C)O)nc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-16-13-7-5-4-6-11(13)15-12(14(16)18)9-8-10(2)17/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyCKPJZLQSPOITLB-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.73
Rot. Bonds4

About 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one

1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one (PubChem CID 162372194) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
PubChem CID162372194
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
SMILESCCn1c(=O)c(CCC(C)O)nc2ccccc21
InChIInChI=1S/C14H18N2O2/c1-3-16-13-7-5-4-6-11(13)15-12(14(16)18)9-8-10(2)17/h4-7,10,17H,3,8-9H2,1-2H3
InChIKeyCKPJZLQSPOITLB-UHFFFAOYSA-N
XLogP1.73
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-methylquinoxalin-2-one
CID 139075519
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
3-(4-butyl-3-oxoquinoxalin-2-yl)propanoic acid
CID 2432558
1-(5-hydroxyhexyl)-3-methylquinoxalin-2-one
CID 55067815
(2S)-4-(2-methylbenzimidazol-1-yl)butan-2-ol
CID 139248448
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
6-(1-ethylbenzimidazol-2-yl)-2-methylhexan-3-ol
CID 79750581
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
bis(1-ethylbenzimidazol-2-yl)methanone
CID 22887473
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
4-(1-ethylbenzimidazol-2-yl)-2-methylbutanal
CID 79750345
(2S)-1-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 51975802

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one (CID 162372194) is 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one is CCn1c(=O)c(CCC(C)O)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one?
The InChIKey is CKPJZLQSPOITLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-16-13-7-5-4-6-11(13)15-12(14(16)18)9-8-10(2)17/h4-7,10,17H,3,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one?
1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one is sourced from PubChem (CID 162372194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).