4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one

C16H17N3O2 — CID 80726419

IUPAC4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
SMILESCCOc1cc(N)cc(N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H17N3O2/c1-2-21-13-8-11(17)7-12(9-13)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,2,10,17H2,1H3,(H,18,20)
InChIKeyXTWKXOKEKWFDDN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.76
Rot. Bonds3

About 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one

4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 80726419) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
PubChem CID80726419
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one
SMILESCCOc1cc(N)cc(N2CC(=O)Nc3ccccc32)c1
InChIInChI=1S/C16H17N3O2/c1-2-21-13-8-11(17)7-12(9-13)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,2,10,17H2,1H3,(H,18,20)
InChIKeyXTWKXOKEKWFDDN-UHFFFAOYSA-N
XLogP2.76
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(3-amino-5-methoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
CID 81145854
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
1-(2,5-diethoxyphenyl)imidazolidine-2,4-dione
CID 79777449
4-(3-amino-5-ethoxyphenyl)-3,3-dimethylpiperazin-2-one
CID 80735238
4-(6-propanoyl-3-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 115938928
4-[2-(2-ethoxyphenoxy)acetyl]-1,3-dihydroquinoxalin-2-one
CID 26860466
4-[6-(1-aminoethyl)-3-pyridinyl]-1,3-dihydroquinoxalin-2-one
CID 83121972
1-(4-ethoxyphenyl)imidazolidine-2,4-dione
CID 2848649
4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
CID 28822379
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 80750407
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one (CID 80726419) is 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one is CCOc1cc(N)cc(N2CC(=O)Nc3ccccc32)c1.
What is the InChIKey of 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is XTWKXOKEKWFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-2-21-13-8-11(17)7-12(9-13)19-10-16(20)18-14-5-3-4-6-15(14)19/h3-9H,2,10,17H2,1H3,(H,18,20).
What are the key properties of 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one?
4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 283.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-ethoxyphenyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 80726419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).