[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

C27H25N3O4 — CID 43030602

IUPAC[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OC(C)C(=O)Nc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C27H25N3O4/c1-4-30-24-15-14-20(16-23(24)28-17(2)26(30)32)27(33)34-18(3)25(31)29-22-13-9-8-12-21(22)19-10-6-5-7-11-19/h5-16,18H,4H2,1-3H3,(H,29,31)
InChIKeyNTCASIKPBVVGNE-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.58
Rot. Bonds6

About [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate

[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (PubChem CID 43030602) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
PubChem CID43030602
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
SMILESCCn1c(=O)c(C)nc2cc(C(=O)OC(C)C(=O)Nc3ccccc3-c3ccccc3)ccc21
InChIInChI=1S/C27H25N3O4/c1-4-30-24-15-14-20(16-23(24)28-17(2)26(30)32)27(33)34-18(3)25(31)29-22-13-9-8-12-21(22)19-10-6-5-7-11-19/h5-16,18H,4H2,1-3H3,(H,29,31)
InChIKeyNTCASIKPBVVGNE-UHFFFAOYSA-N
XLogP4.58
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673790
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7990878
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064857
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064796
3-oxobutan-2-yl 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 46819421
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 40984784
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8673807
[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064834
[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 8696816
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 9064863
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 4-hydroxybenzoate
CID 2624833
[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 11920380

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate (CID 43030602) is [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate.
What is the SMILES notation for [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The canonical SMILES for [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is CCn1c(=O)c(C)nc2cc(C(=O)OC(C)C(=O)Nc3ccccc3-c3ccccc3)ccc21.
What is the InChIKey of [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
The InChIKey is NTCASIKPBVVGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-4-30-24-15-14-20(16-23(24)28-17(2)26(30)32)27(33)34-18(3)25(31)29-22-13-9-8-12-21(22)19-10-6-5-7-11-19/h5-16,18H,4H2,1-3H3,(H,29,31).
What are the key properties of [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate?
[1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate has a molecular weight of 455.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylanilino)propan-2-yl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate is sourced from PubChem (CID 43030602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).