[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate

C26H21N3O3 — CID 23971722

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)NC1CC1
InChIInChI=1S/C26H21N3O3/c30-23(27-20-12-13-20)16-32-26(31)19-11-14-21-22(15-19)29-25(18-9-5-2-6-10-18)24(28-21)17-7-3-1-4-8-17/h1-11,14-15,20H,12-13,16H2,(H,27,30)
InChIKeyXUWMPZOGGNEUBZ-UHFFFAOYSA-N
MW423.47 g/mol
LogP4.40
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate (PubChem CID 23971722) has the molecular formula C26H21N3O3 and a molecular weight of 423.47 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
PubChem CID23971722
Molecular FormulaC26H21N3O3
Molecular Weight423.47 g/mol
Exact Mass423.16
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
SMILESO=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)NC1CC1
InChIInChI=1S/C26H21N3O3/c30-23(27-20-12-13-20)16-32-26(31)19-11-14-21-22(15-19)29-25(18-9-5-2-6-10-18)24(28-21)17-7-3-1-4-8-17/h1-11,14-15,20H,12-13,16H2,(H,27,30)
InChIKeyXUWMPZOGGNEUBZ-UHFFFAOYSA-N
XLogP4.40
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(3-methoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 23744484
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
CID 2606533
[2-(cyclopentylamino)-2-oxoethyl] 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 7503143
[2-[[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8656970
[2-(4-methylanilino)-2-oxoethyl] 2,3-bis(4-methylphenyl)quinoxaline-6-carboxylate
CID 23744301
[2-(cyclopropylamino)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 2580715
[2-[4-(4-methylbenzoyl)oxyphenyl]-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate
CID 126188565
[2-(cyclopropylamino)-2-oxoethyl] 3-methylsulfonylbenzoate
CID 2528872
[2-(cyclopropylamino)-2-oxoethyl] 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 2489761
N-cyclopropyl-2,3-bis(4-fluorophenyl)quinoxaline-6-carboxamide
CID 22588027
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
methyl 4-[6-[3-(4-ethoxycarbonylphenyl)-2-phenylquinoxalin-6-yl]-3-phenylquinoxalin-2-yl]benzoate
CID 89469510

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate (CID 23971722) is [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate is O=C(COC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate?
The InChIKey is XUWMPZOGGNEUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3/c30-23(27-20-12-13-20)16-32-26(31)19-11-14-21-22(15-19)29-25(18-9-5-2-6-10-18)24(28-21)17-7-3-1-4-8-17/h1-11,14-15,20H,12-13,16H2,(H,27,30).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate has a molecular weight of 423.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2,3-diphenylquinoxaline-6-carboxylate is sourced from PubChem (CID 23971722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).