[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate

C20H17FN4O4 — CID 7720946

IUPAC[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2nc1C
InChIInChI=1S/C20H17FN4O4/c1-11-12(2)23-17-9-13(7-8-16(17)22-11)19(27)29-10-18(26)25-20(28)24-15-6-4-3-5-14(15)21/h3-9H,10H2,1-2H3,(H2,24,25,26,28)
InChIKeySPCGDHXWWVPGME-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.89
Rot. Bonds4

About [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate (PubChem CID 7720946) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
PubChem CID7720946
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC Name[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
SMILESCc1nc2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2nc1C
InChIInChI=1S/C20H17FN4O4/c1-11-12(2)23-17-9-13(7-8-16(17)22-11)19(27)29-10-18(26)25-20(28)24-15-6-4-3-5-14(15)21/h3-9H,10H2,1-2H3,(H2,24,25,26,28)
InChIKeySPCGDHXWWVPGME-UHFFFAOYSA-N
XLogP2.89
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate with MolForge

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Related Compounds

[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methylbenzoate
CID 7971704
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 8572691
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771265
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 55445341
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methylbenzoate
CID 40721484
N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]-2,3-dimethylquinoxaline-6-carboxamide
CID 110407656
[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8628323
[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 9380501
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2-[(S)-methylsulfinyl]benzoate
CID 11927399
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7716680
[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 7717059
[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-fluorobenzoate
CID 2523545

Frequently Asked Questions

What is the IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The IUPAC name of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate (CID 7720946) is [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate.
What is the SMILES notation for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The canonical SMILES for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate is Cc1nc2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3F)cc2nc1C.
What is the InChIKey of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
The InChIKey is SPCGDHXWWVPGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c1-11-12(2)23-17-9-13(7-8-16(17)22-11)19(27)29-10-18(26)25-20(28)24-15-6-4-3-5-14(15)21/h3-9H,10H2,1-2H3,(H2,24,25,26,28).
What are the key properties of [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate?
[2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate has a molecular weight of 396.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate is sourced from PubChem (CID 7720946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).