[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate

C21H17N3O4 — CID 9061813

IUPAC[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate
SMILESC[C@@H](OC(=O)c1cccc2cccnc12)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C21H17N3O4/c1-13(20(26)24-12-18(25)23-16-9-2-3-10-17(16)24)28-21(27)15-8-4-6-14-7-5-11-22-19(14)15/h2-11,13H,12H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyUMJMJQMWKUNCSQ-CYBMUJFWSA-N
MW375.38 g/mol
LogP2.77
Rot. Bonds3

About [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate

[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate (PubChem CID 9061813) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate
PubChem CID9061813
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate
SMILESC[C@@H](OC(=O)c1cccc2cccnc12)C(=O)N1CC(=O)Nc2ccccc21
InChIInChI=1S/C21H17N3O4/c1-13(20(26)24-12-18(25)23-16-9-2-3-10-17(16)24)28-21(27)15-8-4-6-14-7-5-11-22-19(14)15/h2-11,13H,12H2,1H3,(H,23,25)/t13-/m1/s1
InChIKeyUMJMJQMWKUNCSQ-CYBMUJFWSA-N
XLogP2.77
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16608234
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-ethylsulfanylbenzoate
CID 8959416
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958658
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1H-indole-3-carboxylate
CID 9382321
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-amino-4-fluorobenzoate
CID 27998213
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-1,2-oxazole-5-carboxylate
CID 9383608
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 1-cyclopropyl-2,5-dimethylpyrrole-3-carboxylate
CID 9062638
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 154835472
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 4-propoxybenzoate
CID 8736332
[1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 45351272
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387141
[(2S)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 8881667

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate (CID 9061813) is [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate is C[C@@H](OC(=O)c1cccc2cccnc12)C(=O)N1CC(=O)Nc2ccccc21.
What is the InChIKey of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate?
The InChIKey is UMJMJQMWKUNCSQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-13(20(26)24-12-18(25)23-16-9-2-3-10-17(16)24)28-21(27)15-8-4-6-14-7-5-11-22-19(14)15/h2-11,13H,12H2,1H3,(H,23,25)/t13-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate?
[(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate has a molecular weight of 375.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] quinoline-8-carboxylate is sourced from PubChem (CID 9061813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).