ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate

C23H25N3O4 — CID 46324529

IUPACethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C23H25N3O4/c1-5-30-23(29)17-6-8-18(9-7-17)25-21(27)10-11-26-20-13-15(3)14(2)12-19(20)24-16(4)22(26)28/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,27)
InChIKeyGEQXXGCIHOYYLS-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.53
Rot. Bonds6

About ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate

ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate (PubChem CID 46324529) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
PubChem CID46324529
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Nameethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1
InChIInChI=1S/C23H25N3O4/c1-5-30-23(29)17-6-8-18(9-7-17)25-21(27)10-11-26-20-13-15(3)14(2)12-19(20)24-16(4)22(26)28/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,27)
InChIKeyGEQXXGCIHOYYLS-UHFFFAOYSA-N
XLogP3.53
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate with MolForge

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Related Compounds

N-(3-ethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324557
N-(2,4-dimethylphenyl)-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324526
ethyl 4-[3-(2-oxo-3-propylbenzimidazol-1-yl)propanoylamino]benzoate
CID 27007290
ethyl 4-[[2-(5,6-dimethylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 1147047
N-[(2-chlorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324487
ethyl 4-[3-(4-methylpiperazin-1-yl)propanoylamino]benzoate
CID 109017437
N-[(3-fluorophenyl)methyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324640
N-[(1S)-1-thiophen-2-ylbutyl]-3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanamide
CID 92869655
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959
ethyl 4-[3-(4-ethoxycarbonylanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029191
N-(4-ethylphenyl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249288
ethyl 4-[[2-(2,4-dimethyl-6-oxopyrimidin-1-yl)acetyl]amino]benzoate
CID 7748899

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate?
The IUPAC name of ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate (CID 46324529) is ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate.
What is the SMILES notation for ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate?
The canonical SMILES for ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)CCn2c(=O)c(C)nc3cc(C)c(C)cc32)cc1.
What is the InChIKey of ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate?
The InChIKey is GEQXXGCIHOYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-5-30-23(29)17-6-8-18(9-7-17)25-21(27)10-11-26-20-13-15(3)14(2)12-19(20)24-16(4)22(26)28/h6-9,12-13H,5,10-11H2,1-4H3,(H,25,27).
What are the key properties of ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate?
ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate has a molecular weight of 407.47 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)propanoylamino]benzoate is sourced from PubChem (CID 46324529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).