1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one

C20H19N5O — CID 146143567

IUPAC1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one
SMILESCCn1c(=O)c(NCc2nccn2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H19N5O/c1-2-24-17-11-7-6-10-16(17)23-19(20(24)26)22-14-18-21-12-13-25(18)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyAUXLCHZQZBRBAY-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.21
Rot. Bonds5

About 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one

1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one (PubChem CID 146143567) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one
PubChem CID146143567
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one
SMILESCCn1c(=O)c(NCc2nccn2-c2ccccc2)nc2ccccc21
InChIInChI=1S/C20H19N5O/c1-2-24-17-11-7-6-10-16(17)23-19(20(24)26)22-14-18-21-12-13-25(18)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyAUXLCHZQZBRBAY-UHFFFAOYSA-N
XLogP3.21
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-3-[(4-methyl-1,2-oxazol-3-yl)methylamino]quinoxalin-2-one
CID 138008430
1-ethyl-3-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylamino]quinoxalin-2-one
CID 167823767
3-(benzimidazol-1-yl)-1-ethylquinoxalin-2-one
CID 162419791
3-[(1-cyclopropylbenzimidazol-2-yl)methylamino]-1-ethylpyrazin-2-one
CID 133466705
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135109990
3-[(1,1-dioxothian-4-yl)amino]-1-ethylquinoxalin-2-one
CID 138022724
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylaniline
CID 61020284
(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866
1-[(1-ethylimidazol-2-yl)methyl]-2-methylbenzimidazole
CID 79760580
1-ethyl-3-thiophen-2-ylquinoxalin-2-one
CID 90202221

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one?
The IUPAC name of 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one (CID 146143567) is 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one.
What is the SMILES notation for 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one?
The canonical SMILES for 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one is CCn1c(=O)c(NCc2nccn2-c2ccccc2)nc2ccccc21.
What is the InChIKey of 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one?
The InChIKey is AUXLCHZQZBRBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-2-24-17-11-7-6-10-16(17)23-19(20(24)26)22-14-18-21-12-13-25(18)15-8-4-3-5-9-15/h3-13H,2,14H2,1H3,(H,22,23).
What are the key properties of 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one?
1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one has a molecular weight of 345.41 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1-phenylimidazol-2-yl)methylamino]quinoxalin-2-one is sourced from PubChem (CID 146143567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).