6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one

C16H21N3O — CID 143057301

IUPAC6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one
SMILESC=CNC(c1ccc2[nH]c(=O)c(CC)nc2c1)C(C)C
InChIInChI=1S/C16H21N3O/c1-5-12-16(20)19-13-8-7-11(9-14(13)18-12)15(10(3)4)17-6-2/h6-10,15,17H,2,5H2,1,3-4H3,(H,19,20)
InChIKeyHYGNBTJIZIBNDL-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds5

About 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one

6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one (PubChem CID 143057301) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one
PubChem CID143057301
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one
SMILESC=CNC(c1ccc2[nH]c(=O)c(CC)nc2c1)C(C)C
InChIInChI=1S/C16H21N3O/c1-5-12-16(20)19-13-8-7-11(9-14(13)18-12)15(10(3)4)17-6-2/h6-10,15,17H,2,5H2,1,3-4H3,(H,19,20)
InChIKeyHYGNBTJIZIBNDL-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one?
The IUPAC name of 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one (CID 143057301) is 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one?
The canonical SMILES for 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one is C=CNC(c1ccc2[nH]c(=O)c(CC)nc2c1)C(C)C.
What is the InChIKey of 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one?
The InChIKey is HYGNBTJIZIBNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-12-16(20)19-13-8-7-11(9-14(13)18-12)15(10(3)4)17-6-2/h6-10,15,17H,2,5H2,1,3-4H3,(H,19,20).
What are the key properties of 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one?
6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(ethenylamino)-2-methylpropyl]-3-ethyl-1H-quinoxalin-2-one is sourced from PubChem (CID 143057301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).