quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

C21H17N3O3 — CID 39645755

IUPACquinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Oc3cccc4cccnc34)ccc21
InChIInChI=1S/C21H17N3O3/c1-3-24-17-10-9-15(12-16(17)23-13(2)20(24)25)21(26)27-18-8-4-6-14-7-5-11-22-19(14)18/h4-12H,3H2,1-2H3
InChIKeyGDBUSXUONDYEFK-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.49
Rot. Bonds3

About quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (PubChem CID 39645755) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Namequinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
PubChem CID39645755
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Namequinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)Oc3cccc4cccnc34)ccc21
InChIInChI=1S/C21H17N3O3/c1-3-24-17-10-9-15(12-16(17)23-13(2)20(24)25)21(26)27-18-8-4-6-14-7-5-11-22-19(14)18/h4-12H,3H2,1-2H3
InChIKeyGDBUSXUONDYEFK-UHFFFAOYSA-N
XLogP3.49
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylic acid
CID 4962182
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673807
(3,3-dimethyl-2-oxobutyl) 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990724
2-(4-methoxyphenoxy)ethyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990928
1,3-benzodioxol-5-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7578713
quinolin-8-yl 3-bromo-4-ethoxybenzoate
CID 1104066
[2-(4-ethoxyphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7991043
(2-fluorophenyl)methyl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990718
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8696816
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959
[2-(4-methylsulfanylphenyl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 32932722

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The IUPAC name of quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (CID 39645755) is quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The canonical SMILES for quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is CCn1c(=O)c(C)nc2cc(C(=O)Oc3cccc4cccnc34)ccc21.
What is the InChIKey of quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The InChIKey is GDBUSXUONDYEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-3-24-17-10-9-15(12-16(17)23-13(2)20(24)25)21(26)27-18-8-4-6-14-7-5-11-22-19(14)18/h4-12H,3H2,1-2H3.
What are the key properties of quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate has a molecular weight of 359.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 39645755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).