1-(3-amino-2-ethoxypropyl)quinoxalin-2-one

C13H17N3O2 — CID 63071589

IUPAC1-(3-amino-2-ethoxypropyl)quinoxalin-2-one
SMILESCCOC(CN)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-2-18-10(7-14)9-16-12-6-4-3-5-11(12)15-8-13(16)17/h3-6,8,10H,2,7,9,14H2,1H3
InChIKeyQXWFJRPFPSIHGV-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.76
Rot. Bonds5

About 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one

1-(3-amino-2-ethoxypropyl)quinoxalin-2-one (PubChem CID 63071589) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-ethoxypropyl)quinoxalin-2-one
PubChem CID63071589
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3-amino-2-ethoxypropyl)quinoxalin-2-one
SMILESCCOC(CN)Cn1c(=O)cnc2ccccc21
InChIInChI=1S/C13H17N3O2/c1-2-18-10(7-14)9-16-12-6-4-3-5-11(12)15-8-13(16)17/h3-6,8,10H,2,7,9,14H2,1H3
InChIKeyQXWFJRPFPSIHGV-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(fluoromethyl)quinoxalin-2-one
CID 140968709
2-ethoxy-4-(2-methylbenzimidazol-1-yl)butan-1-amine
CID 55148203
ethyl (E)-4-(2-oxoquinoxalin-1-yl)but-2-enoate
CID 80546059
1-(methylsulfanylmethyl)quinoxalin-2-one
CID 56689697
2-(2-oxoquinoxalin-1-yl)ethyl acetate
CID 175088435
1-[2-(ethylamino)ethyl]quinoxalin-2-one
CID 61387622
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
1-[2-(propan-2-ylamino)ethyl]quinoxalin-2-one
CID 61387624
1-[3-(2-fluorophenoxy)-2-hydroxypropyl]quinoxalin-2-one
CID 42952052
1-[[2-(aminomethyl)-5-fluorophenyl]methyl]quinoxalin-2-one
CID 64765379
1-[4-(ethylamino)butyl]quinoxalin-2-one
CID 62562828
methyl 2,2-dimethyl-3-(2-oxoquinoxalin-1-yl)propanoate
CID 79629951

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one?
The IUPAC name of 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one (CID 63071589) is 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one.
What is the SMILES notation for 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one?
The canonical SMILES for 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one is CCOC(CN)Cn1c(=O)cnc2ccccc21.
What is the InChIKey of 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one?
The InChIKey is QXWFJRPFPSIHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-18-10(7-14)9-16-12-6-4-3-5-11(12)15-8-13(16)17/h3-6,8,10H,2,7,9,14H2,1H3.
What are the key properties of 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one?
1-(3-amino-2-ethoxypropyl)quinoxalin-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-ethoxypropyl)quinoxalin-2-one is sourced from PubChem (CID 63071589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).