1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one

C15H16N4O2 — CID 138008430

IUPAC1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one
SMILESCCn1c(=O)c(NCc2nocc2C)nc2ccccc21
InChIInChI=1S/C15H16N4O2/c1-3-19-13-7-5-4-6-11(13)17-14(15(19)20)16-8-12-10(2)9-21-18-12/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyMDLDVGAFYHYUNZ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.32
Rot. Bonds4

About 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one

1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one (PubChem CID 138008430) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one
PubChem CID138008430
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one
SMILESCCn1c(=O)c(NCc2nocc2C)nc2ccccc21
InChIInChI=1S/C15H16N4O2/c1-3-19-13-7-5-4-6-11(13)17-14(15(19)20)16-8-12-10(2)9-21-18-12/h4-7,9H,3,8H2,1-2H3,(H,16,17)
InChIKeyMDLDVGAFYHYUNZ-UHFFFAOYSA-N
XLogP2.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one
CID 167823767
1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one
CID 146143567
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-[(1,1-dioxothian-4-yl)amino]-1-ethylquinoxalin-2-one
CID 138022724
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
1-benzyl-3-ethylquinoxalin-2-one
CID 91739681
1-benzyl-3-(1-hydroxyethylamino)quinoxalin-2-one
CID 174769465
3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-ethyl-3-(3-hydroxybutyl)quinoxalin-2-one
CID 162372194
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one (CID 138008430) is 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one is CCn1c(=O)c(NCc2nocc2C)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one?
The InChIKey is MDLDVGAFYHYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-3-19-13-7-5-4-6-11(13)17-14(15(19)20)16-8-12-10(2)9-21-18-12/h4-7,9H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one?
1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one is sourced from PubChem (CID 138008430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).