1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one

C14H16N4O — CID 114531269

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
SMILESCn1ccnc1CCN1C(=O)CNc2ccccc21
InChIInChI=1S/C14H16N4O/c1-17-9-7-15-13(17)6-8-18-12-5-3-2-4-11(12)16-10-14(18)19/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyNUASEXOQFYALSN-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one

1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one (PubChem CID 114531269) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
PubChem CID114531269
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
SMILESCn1ccnc1CCN1C(=O)CNc2ccccc21
InChIInChI=1S/C14H16N4O/c1-17-9-7-15-13(17)6-8-18-12-5-3-2-4-11(12)16-10-14(18)19/h2-5,7,9,16H,6,8,10H2,1H3
InChIKeyNUASEXOQFYALSN-UHFFFAOYSA-N
XLogP1.42
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
CID 114531283
1-[2-(4-methoxyphenyl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65446883
2-[2-(2-oxo-3,4-dihydroquinoxalin-1-yl)ethyl]isoindole-1,3-dione
CID 94763938
1-but-3-ynyl-3,4-dihydroquinoxalin-2-one
CID 63643833
4-(2-oxo-3,4-dihydroquinoxalin-1-yl)butanenitrile
CID 62876473
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,4-dihydroquinoxalin-2-one
CID 104566166
1-[2-(4-tert-butylphenoxy)ethyl]-3,4-dihydroquinoxalin-2-one
CID 82156906
1-(2-piperazin-1-ylethyl)-3,4-dihydroquinoxalin-2-one
CID 117030577
1-(2-methylprop-2-enyl)-3,4-dihydroquinoxalin-2-one
CID 82156911
1-(cyclohexylmethyl)-3,4-dihydroquinoxalin-2-one
CID 62874787
2,2-dimethyl-6-(2-oxo-3,4-dihydroquinoxalin-1-yl)hexanenitrile
CID 106713828
1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 114531954

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one (CID 114531269) is 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one is Cn1ccnc1CCN1C(=O)CNc2ccccc21.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one?
The InChIKey is NUASEXOQFYALSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-9-7-15-13(17)6-8-18-12-5-3-2-4-11(12)16-10-14(18)19/h2-5,7,9,16H,6,8,10H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one?
1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one has a molecular weight of 256.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one is sourced from PubChem (CID 114531269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).